data_1p1t_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 1p1t _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.431 ' HB3' ' CG ' ' A' ' 67' ' ' GLN . 2.5 mt -69.54 -13.55 62.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.0 mtm-85 -111.18 76.12 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.297 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.508 ' O ' ' CB ' ' A' ' 92' ' ' ALA . 3.2 m 175.27 125.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.991 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.45 ' CG1' ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -117.45 125.88 74.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.417 ' CE1' ' HB2' ' A' ' 59' ' ' TYR . 24.6 t80 -79.4 129.23 34.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.488 HG22 ' CZ ' ' A' ' 36' ' ' PHE . 2.8 t -117.25 133.22 64.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -138.66 -175.62 14.08 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.483 1.114 . . . . 0.0 111.052 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.7 t30 62.61 21.9 12.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.755 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.445 HD12 ' CG1' ' A' ' 20' ' ' VAL . 3.1 mt -95.43 114.43 63.86 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -175.49 2.39 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.549 1.815 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.572 ' CE2' ' HD2' ' A' ' 56' ' ' PRO . 3.6 m-85 -75.39 -4.72 41.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 111.022 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -91.6 -15.71 28.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.441 ' HB1' ' CG2' ' A' ' 23' ' ' ILE . . . -110.49 93.42 4.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.474 ' O ' ' CD2' ' A' ' 32' ' ' LEU . 7.5 p -90.88 174.81 7.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.385 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.411 ' CD ' ' O ' ' A' ' 45' ' ' PHE . 13.1 mt-10 -57.73 -30.22 65.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -61.12 -33.81 73.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.266 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -88.5 -45.18 10.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.474 ' CD2' ' O ' ' A' ' 28' ' ' THR . 0.3 OUTLIER -57.01 -48.84 77.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.353 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -61.24 -37.87 84.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.25 -39.19 92.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.415 ' CG2' HD21 ' A' ' 77' ' ' LEU . 20.2 mt -67.57 -46.97 81.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.56 ' CE1' HD22 ' A' ' 77' ' ' LEU . 3.5 m-85 -68.27 -27.53 66.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 111.011 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.483 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 35.5 p -61.48 -32.93 72.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 110.048 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -68.03 -13.51 62.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.268 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.476 ' CG1' ' HA ' ' A' ' 73' ' ' ALA . 24.2 t -104.88 1.07 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.483 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 133.64 176.33 14.34 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.46 1.1 . . . . 0.0 110.973 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 123.34 7.82 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.544 1.812 . . . . 0.0 111.035 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.1 m -92.79 122.2 44.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.243 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.475 ' CG2' ' HB2' ' A' ' 65' ' ' GLN . 97.9 t -55.91 -58.92 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.346 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.88 161.91 39.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 110.022 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 62' ' ' CYS . 0.6 OUTLIER -147.07 116.96 7.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 111.0 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -128.14 136.61 51.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.568 HD23 ' CD1' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -117.99 174.93 5.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.571 HG21 ' CD2' ' A' ' 59' ' ' TYR . 3.4 m -88.1 121.93 39.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.556 ' CE1' ' HB3' ' A' ' 56' ' ' PRO . 1.1 m-85 -126.21 119.28 27.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 54' ' ' GLY . 15.6 m-20 -72.14 109.09 5.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -73.1 -30.34 63.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.272 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -71.31 -32.45 68.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.469 HG22 ' CD ' ' A' ' 55' ' ' LYS . 18.5 m -105.91 -4.14 21.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.41 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 51.01 19.9 3.99 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.469 ' CD ' HG22 ' A' ' 53' ' ' THR . 0.8 OUTLIER -117.92 145.49 36.84 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.53 0.783 . . . . 0.0 109.333 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.572 ' HD2' ' CE2' ' A' ' 25' ' ' TYR . 18.4 Cg_endo -74.99 137.88 22.32 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.486 1.782 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -57.87 -57.41 12.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 137.92 -18.86 3.33 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.438 1.086 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.571 ' CD2' HG21 ' A' ' 48' ' ' VAL . 26.2 p90 -124.57 156.91 36.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.753 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.473 ' HA3' ' CD2' ' A' ' 47' ' ' LEU . . . -161.67 -174.35 31.44 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.476 1.11 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.566 ' CE2' ' HG ' ' A' ' 101' ' ' LEU . 75.5 m-85 -131.96 139.89 48.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.754 . . . . 0.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 26.0 t -117.6 121.99 42.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 108.29 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.425 ' HA ' ' HA ' ' A' ' 17' ' ' SER . 13.5 tt0 -100.25 123.51 44.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.54 ' CE1' HG23 ' A' ' 69' ' ' THR . 9.8 m-85 -93.58 -170.7 2.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.475 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . 2.2 tt0 -109.0 -15.12 14.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -136.91 134.27 36.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.431 ' CG ' ' HB3' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -57.26 -40.82 78.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.311 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -62.36 -37.68 86.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.274 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.54 HG23 ' CE1' ' A' ' 64' ' ' TYR . 23.6 m -65.57 -44.16 87.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 110.413 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.446 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . . . -67.65 -39.52 84.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.3 mt -67.47 -42.0 83.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.447 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 5.0 t -62.96 -38.34 90.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.967 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.476 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . . . -66.61 -38.26 86.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.503 ' O ' ' CB ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -63.28 -46.8 85.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.6 ttm180 -77.44 -26.12 51.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.352 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 72' ' ' SER . 1.0 OUTLIER -75.49 -35.05 60.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.56 HD22 ' CE1' ' A' ' 36' ' ' PHE . 8.2 mp -103.14 -90.92 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 74' ' ' MET . 1.5 t30 37.62 88.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.98 37.66 87.95 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.86 121.44 26.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 110.285 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.5 136.2 57.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.441 ' C ' ' CD1' ' A' ' 82' ' ' PHE . 6.0 t80 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.424 ' CD1' HG12 ' A' ' 23' ' ' ILE . 0.4 OUTLIER -96.21 93.16 6.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 17.2 mtt-85 -63.82 118.78 8.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.6 t -124.96 122.85 64.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -139.6 143.12 37.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.409 ' O ' ' ND2' ' A' ' 97' ' ' ASN . 1.7 t30 -45.54 134.92 6.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -72.38 -13.33 61.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.539 1.15 . . . . 0.0 109.354 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -91.7 23.06 3.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.05 148.96 30.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.949 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -63.68 -36.34 83.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.263 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.02 -33.49 33.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.409 ' ND2' ' O ' ' A' ' 91' ' ' ASN . 6.7 m-20 -71.91 -19.79 61.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -65.16 -33.16 75.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.68 -40.43 92.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.327 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -71.44 -42.69 67.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 110.331 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.566 ' HG ' ' CE2' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -62.87 -32.83 74.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.1 tptm -48.92 -28.73 4.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.56 -36.84 20.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.987 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.461 ' CD1' HG11 ' A' ' 48' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.452 ' CB ' ' NE2' ' A' ' 67' ' ' GLN . 0.8 OUTLIER -69.22 -16.69 63.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 109.307 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 17' ' ' SER . 23.7 mtm-85 -93.1 -61.48 1.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.522 ' O ' ' CB ' ' A' ' 92' ' ' ALA . 16.3 m -37.49 115.0 0.37 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.963 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.456 ' CG1' ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -111.92 125.88 69.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.244 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.66 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 30.3 t80 -81.61 129.7 34.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 111.035 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.454 HG12 ' CD1' ' A' ' 23' ' ' ILE . 17.1 t -116.84 133.14 64.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.99 -175.44 13.91 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 62.92 22.19 13.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 109.262 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.454 ' CD1' HG12 ' A' ' 20' ' ' VAL . 3.2 mt -95.47 114.28 63.55 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -164.12 0.22 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.46 1.768 . . . . 0.0 110.991 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 16.8 m-30 -87.88 -8.13 56.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -88.11 -11.67 46.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.258 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -117.76 96.45 5.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.105 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.4 p -90.85 174.21 7.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.369 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.463 ' HG3' ' CD2' ' A' ' 47' ' ' LEU . 66.6 mt-10 -57.75 -30.53 65.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 110.322 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -60.7 -33.91 73.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.332 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -86.83 -45.06 11.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.416 ' N ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -56.78 -48.64 77.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -61.18 -37.74 84.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.63 -39.48 93.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.489 HD13 ' CZ ' ' A' ' 82' ' ' PHE . 6.8 mt -68.16 -46.28 81.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.47 ' HB3' ' CG2' ' A' ' 42' ' ' VAL . 0.3 OUTLIER -67.52 -29.31 68.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.953 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 52.1 p -62.95 -33.85 76.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 110.049 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.424 ' CA ' ' OE1' ' A' ' 38' ' ' GLU . 2.2 tp10 -70.87 -12.73 61.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.321 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.456 ' CG1' ' HA ' ' A' ' 73' ' ' ALA . 20.3 t -104.0 7.06 10.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.43 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 135.02 -174.66 21.04 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 132.64 15.66 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.457 1.767 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.47 ' CG2' ' HB3' ' A' ' 36' ' ' PHE . 53.4 t -104.58 122.29 57.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.468 HG22 ' CA ' ' A' ' 65' ' ' GLN . 2.4 t -72.13 -59.45 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.78 163.88 34.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.006 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.599 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.7 OUTLIER -152.26 114.82 4.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 111.025 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -125.44 129.6 50.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.343 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.569 HD13 ' CE2' ' A' ' 49' ' ' TYR . 3.9 pp -116.14 177.95 4.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.574 HG21 ' CD2' ' A' ' 59' ' ' TYR . 2.9 m -86.47 121.56 37.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.581 ' CE1' ' HB3' ' A' ' 56' ' ' PRO . 1.1 m-85 -122.79 119.62 31.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 54' ' ' GLY . 42.5 m-20 -75.76 109.69 9.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.4 mtt-85 -72.42 -28.12 62.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.331 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -68.99 -31.33 70.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.323 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -111.28 -3.14 15.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.417 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 53.15 17.85 5.86 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.568 1.167 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -117.92 146.26 38.6 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.463 0.743 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.581 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 18.0 Cg_endo -75.03 137.42 21.63 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 0.0 110.962 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 59' ' ' TYR . 2.0 mmtm -53.34 -58.26 7.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 142.53 -17.04 2.45 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.574 ' CD2' HG21 ' A' ' 48' ' ' VAL . 32.9 p90 -125.76 156.61 39.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 0.754 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.479 ' HA3' ' CB ' ' A' ' 47' ' ' LEU . . . -166.04 -170.33 30.82 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.66 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 85.4 m-85 -132.11 137.85 47.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 0.786 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.599 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 11.7 t -116.2 121.62 42.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 108.292 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -100.0 123.35 44.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -92.44 -167.62 1.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.468 ' CA ' HG22 ' A' ' 43' ' ' VAL . 2.6 tt0 -108.8 -17.99 13.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.258 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -136.94 132.64 34.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.452 ' NE2' ' CB ' ' A' ' 15' ' ' LEU . 11.5 tt0 -57.33 -37.44 72.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.77 -38.15 89.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 89.1 m -68.33 -41.41 80.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.35 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.0 -39.47 83.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.0 mt -69.59 -43.91 71.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.449 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 93.2 p -62.79 -38.26 89.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.016 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.456 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . . . -66.88 -38.34 86.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.519 ' O ' ' CB ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -63.32 -47.06 83.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 111.032 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -77.52 -25.44 50.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 110.304 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 72' ' ' SER . 46.9 m-20 -75.94 -35.13 59.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.457 ' O ' ' C ' ' A' ' 78' ' ' ASN . 8.9 mp -103.46 -92.0 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' A' ' 74' ' ' MET . 1.3 t-20 36.34 85.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.344 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 84.98 32.71 20.22 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -81.87 120.33 25.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 0.788 . . . . 0.0 110.263 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -61.11 138.44 58.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.489 ' CZ ' HD13 ' A' ' 35' ' ' ILE . 46.7 t80 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -91.41 94.91 9.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.93 99.72 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.158 . . . . 0.0 110.332 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 30.5 t -106.47 122.59 60.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.03 154.46 47.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.467 ' OD1' ' CE ' ' A' ' 74' ' ' MET . 1.2 t30 -58.51 122.12 12.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.522 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -61.67 -14.03 27.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 109.318 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -90.62 23.58 2.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.77 154.51 28.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.01 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -64.46 -36.39 84.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.8 mmtt -81.13 -33.74 33.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.41 ' ND2' ' O ' ' A' ' 91' ' ' ASN . 72.1 m-20 -72.12 -19.93 61.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.25 -41.9 93.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.093 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -62.64 -35.23 78.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.586 ' OE2' ' CE2' ' A' ' 19' ' ' PHE . 9.8 mt-10 -71.57 -43.22 66.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.326 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.573 ' HG ' ' CZ ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -63.14 -32.84 74.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.72 -28.71 15.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.3 t -85.49 -34.89 21.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.989 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.472 ' CD1' HG11 ' A' ' 48' ' ' VAL . 1.2 tp . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.51 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -69.47 -14.02 62.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.8 mtm-85 -107.78 71.62 0.82 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.503 ' O ' ' CB ' ' A' ' 92' ' ' ALA . 3.3 m 176.31 126.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.015 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.417 ' CG1' ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -119.07 125.98 74.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.279 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.587 ' CD2' ' OD1' ' A' ' 97' ' ' ASN . 1.7 t80 -79.48 129.44 34.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.496 HG23 ' CZ ' ' A' ' 36' ' ' PHE . 2.2 t -115.93 133.31 62.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -134.83 174.54 21.04 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 t30 71.68 23.38 3.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 109.259 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.452 ' CG2' ' HB3' ' A' ' 27' ' ' ALA . 3.4 mt -95.13 114.2 63.18 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -179.54 5.09 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.473 1.775 . . . . 0.0 111.026 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -75.6 -5.07 43.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.56 -9.95 42.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.452 ' HB3' ' CG2' ' A' ' 23' ' ' ILE . . . -114.44 96.1 5.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.118 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.409 ' O ' ' CD2' ' A' ' 32' ' ' LEU . 10.3 p -90.63 174.74 7.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.398 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.451 ' HG3' ' CD1' ' A' ' 47' ' ' LEU . 36.0 mt-10 -57.54 -30.04 64.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 110.334 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -60.76 -33.56 73.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -89.95 -45.16 9.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.411 ' N ' HD11 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -57.27 -49.11 77.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.474 ' CG ' HG12 ' A' ' 42' ' ' VAL . 2.8 ttpp -61.76 -37.66 85.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.429 1.081 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.61 -38.54 89.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.553 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 8.0 mt -68.27 -47.22 79.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.496 ' CZ ' HG23 ' A' ' 20' ' ' VAL . 6.8 m-85 -68.15 -29.31 68.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.433 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 60.9 p -63.57 -35.19 79.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 109.984 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.406 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 15.0 tp10 -70.83 -12.59 61.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.248 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.452 ' CG1' ' HA ' ' A' ' 73' ' ' ALA . 1.7 t -104.17 7.17 10.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.433 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 135.03 -177.23 19.49 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 122.82 7.44 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.474 1.776 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.504 ' CG2' ' SG ' ' A' ' 62' ' ' CYS . 11.1 p -100.93 123.03 53.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.473 ' CG2' ' HB2' ' A' ' 65' ' ' GLN . 30.9 t -72.06 -76.15 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.5 p -134.87 160.93 36.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.983 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.595 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.8 OUTLIER -152.66 115.1 4.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.9 mtt-85 -130.95 140.91 50.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.287 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.477 ' CD2' ' HA3' ' A' ' 60' ' ' GLY . 0.2 OUTLIER -118.33 176.86 5.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.561 HG21 ' CD2' ' A' ' 59' ' ' TYR . 3.5 m -87.14 121.57 38.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.531 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 1.0 OUTLIER -124.83 119.24 28.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.579 1.174 . . . . 0.0 110.97 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 54' ' ' GLY . 17.1 m-20 -72.74 109.54 6.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.6 mtt-85 -72.58 -29.71 63.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -70.81 -31.38 68.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.3 p -108.32 -3.32 18.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.371 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 51.32 18.83 3.66 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -118.21 145.25 36.62 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.483 0.754 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.531 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . 18.4 Cg_endo -74.96 137.69 22.14 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.483 1.781 . . . . 0.0 111.012 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.507 ' HB3' ' CE1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -55.99 -57.37 12.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 141.3 -19.73 2.64 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.504 1.128 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.561 ' CD2' HG21 ' A' ' 48' ' ' VAL . 41.0 p90 -123.87 156.93 35.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.477 ' HA3' ' CD2' ' A' ' 47' ' ' LEU . . . -159.47 -174.0 28.65 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.569 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 80.3 m-85 -132.14 139.92 48.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 0.767 . . . . 0.0 111.023 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.595 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 9.7 t -117.83 121.48 40.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 108.295 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.436 ' HA ' ' HA ' ' A' ' 17' ' ' SER . 3.0 tt0 -99.92 123.41 44.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 110.275 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.559 ' CD2' HG21 ' A' ' 69' ' ' THR . 2.2 m-30 -94.22 -168.29 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.473 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . 1.0 OUTLIER -114.19 -13.42 12.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -132.97 131.24 40.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.244 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.463 ' CG ' ' HB3' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -60.74 -42.92 98.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 110.325 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -60.0 -37.69 80.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.559 HG21 ' CD2' ' A' ' 64' ' ' TYR . 94.2 m -67.01 -41.84 85.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.415 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.96 -39.41 90.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.257 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.407 ' HG ' ' N ' ' A' ' 72' ' ' SER . 0.1 OUTLIER -69.5 -48.39 60.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.44 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 3.4 m -59.98 -37.51 79.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.583 1.177 . . . . 0.0 109.986 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.452 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . . . -66.7 -38.45 86.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.513 ' O ' ' CB ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -63.58 -47.27 82.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.978 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.76 -25.55 49.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 72' ' ' SER . 63.9 m-20 -75.9 -35.2 59.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 78' ' ' ASN . 4.2 mt -103.62 -91.79 0.36 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.513 ' CB ' ' O ' ' A' ' 74' ' ' MET . 1.3 t-20 37.38 87.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 78.12 37.99 27.33 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.457 1.098 . . . . 0.0 111.034 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.27 120.86 26.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 0.748 . . . . 0.0 110.302 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.81 133.77 55.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.553 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 11.6 t80 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.446 ' CD1' HG12 ' A' ' 23' ' ' ILE . 1.7 mm? -90.52 94.54 9.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -64.59 100.86 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 42.7 t -106.27 122.04 59.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.356 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -139.97 137.56 34.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 90' ' ' ASP . 2.1 t30 -40.27 135.34 1.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -73.52 -12.5 60.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -91.97 25.28 2.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.34 150.1 27.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.007 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -65.74 -36.54 83.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.329 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.66 -33.59 58.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.587 ' OD1' ' CD2' ' A' ' 19' ' ' PHE . 1.9 m-80 -72.12 -19.78 61.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -64.54 -34.25 77.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.083 . . . . 0.0 109.263 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -66.21 -42.29 88.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.147 . . . . 0.0 110.257 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.554 ' HG2' ' CE2' ' A' ' 59' ' ' TYR . 0.7 OUTLIER -71.45 -42.79 67.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.569 ' HG ' ' CZ ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -62.41 -32.84 73.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -54.31 -30.55 51.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.143 . . . . 0.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.1 t -85.72 -35.04 21.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.995 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.461 ' CD1' HG12 ' A' ' 48' ' ' VAL . 6.5 tp . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.543 ' CD1' ' NE2' ' A' ' 67' ' ' GLN . 8.1 mt -72.15 -12.6 61.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.6 mtp180 -115.08 54.57 0.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.471 ' CB ' ' HB3' ' A' ' 92' ' ' ALA . 36.2 m -164.3 126.25 2.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.009 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -123.72 125.68 71.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.564 ' CZ ' ' OE1' ' A' ' 100' ' ' GLU . 42.5 t80 -78.01 129.13 34.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.951 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.462 ' CG1' HD13 ' A' ' 23' ' ' ILE . 2.2 t -119.23 132.96 67.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -140.63 -176.45 15.26 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.499 1.124 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.413 ' HB2' ' NH1' ' A' ' 88' ' ' ARG . 21.9 t-20 58.6 29.4 18.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 0.789 . . . . 0.0 109.275 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.467 ' CG2' ' HB3' ' A' ' 27' ' ' ALA . 2.0 mt -99.16 118.89 61.86 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.252 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 173.74 13.99 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.481 1.78 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.524 ' CZ ' ' HD2' ' A' ' 56' ' ' PRO . 3.6 m-30 -73.63 -1.99 21.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -91.41 -9.62 44.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.329 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.467 ' HB3' ' CG2' ' A' ' 23' ' ' ILE . . . -114.72 98.23 6.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.349 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.3 p -90.2 174.08 7.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.382 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.456 ' HG3' ' CD1' ' A' ' 47' ' ' LEU . 22.0 mt-10 -57.88 -30.85 66.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -63.64 -33.25 75.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.562 1.163 . . . . 0.0 110.34 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -86.94 -45.2 11.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.432 ' HA ' ' CD1' ' A' ' 35' ' ' ILE . 10.8 mp -58.77 -49.36 77.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.443 ' HG3' ' CG1' ' A' ' 42' ' ' VAL . 4.2 tttt -57.64 -37.76 73.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.402 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 0.5 OUTLIER -66.31 -37.0 84.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.572 HD13 ' CZ ' ' A' ' 82' ' ' PHE . 8.5 mt -68.09 -47.89 76.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -68.89 -29.04 67.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.445 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 68.7 p -63.0 -33.53 75.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 109.998 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.402 ' CG ' ' O ' ' A' ' 34' ' ' ASP . 2.5 mt-10 -65.54 -12.54 53.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.585 1.178 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.481 ' CG1' ' HA ' ' A' ' 73' ' ' ALA . 4.3 t -103.96 7.26 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.445 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 130.18 -171.3 20.56 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 119.43 5.64 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.546 1.814 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.443 ' CG1' ' HG3' ' A' ' 33' ' ' LYS . 11.1 p -92.74 122.15 43.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.497 ' CG1' ' N ' ' A' ' 44' ' ' SER . 2.3 t -66.07 -81.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.497 ' N ' ' CG1' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -132.55 167.46 19.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 110.004 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' A' ' 62' ' ' CYS . 0.8 OUTLIER -160.76 114.21 2.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -132.84 142.13 48.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.316 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.464 ' CD2' ' HA3' ' A' ' 60' ' ' GLY . 0.2 OUTLIER -116.72 176.67 5.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.565 HG23 ' CD2' ' A' ' 59' ' ' TYR . 3.7 m -88.2 121.67 38.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 2.5 m-85 -123.81 119.35 29.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 111.053 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 54' ' ' GLY . 3.8 m-20 -74.2 108.19 6.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.4 mtt-85 -73.12 -27.72 61.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.24 -29.69 67.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.244 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.508 ' CG2' ' HB2' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -111.04 -6.62 14.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.363 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 58.36 17.66 33.02 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.508 ' HB2' ' CG2' ' A' ' 53' ' ' THR . 0.7 OUTLIER -119.78 145.62 39.83 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.576 0.81 . . . . 0.0 109.26 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.524 ' HD2' ' CZ ' ' A' ' 25' ' ' TYR . 18.3 Cg_endo -74.97 137.84 22.31 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.507 1.793 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.559 ' HB3' ' CE1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -53.31 -57.49 10.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 141.9 -20.24 2.52 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.504 1.127 . . . . 0.0 110.965 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.565 ' CD2' HG23 ' A' ' 48' ' ' VAL . 32.9 p90 -122.74 156.51 34.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 0.768 . . . . 0.0 111.048 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.464 ' HA3' ' CD2' ' A' ' 47' ' ' LEU . . . -157.59 -175.04 28.07 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.559 ' CE2' ' HG ' ' A' ' 101' ' ' LEU . 75.6 m-85 -132.2 139.68 48.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 0.784 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.574 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 27.0 t -117.79 123.07 45.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 108.261 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -99.76 125.37 45.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.284 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.481 ' CD2' ' HA ' ' A' ' 70' ' ' ALA . 2.5 m-85 -94.34 -167.09 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -112.74 -15.22 13.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -141.48 133.81 28.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.543 ' NE2' ' CD1' ' A' ' 15' ' ' LEU . 32.9 tt0 -57.39 -37.93 73.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 110.272 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -61.66 -38.59 88.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.3 m -68.1 -41.22 82.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 0.0 110.372 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.481 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . . . -67.89 -38.93 83.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.5 mt -69.22 -46.05 68.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.419 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 8.6 t -62.31 -38.44 89.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.986 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.481 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . . . -66.26 -38.05 86.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.533 ' O ' ' CB ' ' A' ' 78' ' ' ASN . 5.5 mtp -62.59 -46.45 88.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 111.041 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -77.22 -25.8 52.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 72' ' ' SER . 10.6 m-20 -75.66 -35.27 60.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.427 HD13 ' N ' ' A' ' 77' ' ' LEU . 7.5 mp -104.75 -91.35 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.533 ' CB ' ' O ' ' A' ' 74' ' ' MET . 1.6 t30 39.59 90.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 69.62 35.43 74.43 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.543 1.152 . . . . 0.0 110.962 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.83 120.86 25.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 0.772 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -53.95 140.63 30.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.341 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.572 ' CZ ' HD13 ' A' ' 35' ' ' ILE . 38.7 t80 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.461 ' CD2' HG12 ' A' ' 23' ' ' ILE . 7.8 mt -95.63 85.5 4.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.413 ' NH1' ' HB2' ' A' ' 22' ' ' ASN . 0.0 OUTLIER -60.23 118.82 6.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 78.2 t -125.64 123.49 64.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -139.99 137.12 34.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.457 ' N ' ' SD ' ' A' ' 74' ' ' MET . 1.2 t30 -40.53 122.88 1.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.471 ' HB3' ' CB ' ' A' ' 17' ' ' SER . . . -64.47 -11.88 38.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -90.23 22.81 3.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.6 t -79.7 154.58 28.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.01 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -67.31 -33.03 74.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.122 . . . . 0.0 110.315 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.19 -34.09 32.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 91' ' ' ASN . 86.7 m-20 -72.45 -19.63 61.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 11.2 tttm -64.18 -39.01 93.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -65.36 -38.39 89.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.564 ' OE1' ' CZ ' ' A' ' 19' ' ' PHE . 7.8 mt-10 -71.62 -42.98 66.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.559 ' HG ' ' CE2' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -62.89 -32.95 74.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.9 ttpp -49.82 -28.76 6.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.268 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.58 -36.3 20.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.995 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.432 ' HB3' ' CG ' ' A' ' 67' ' ' GLN . 10.1 mt -69.45 -13.75 62.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.4 mtm-85 -110.04 59.99 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.52 ' O ' ' CB ' ' A' ' 92' ' ' ALA . 25.2 m -170.79 122.6 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.017 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.448 ' CG1' ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -118.25 125.65 74.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.537 ' CD1' ' OD2' ' A' ' 90' ' ' ASP . 2.8 t80 -79.85 129.29 34.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.936 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.57 ' CG1' ' CD2' ' A' ' 87' ' ' LEU . 2.2 t -115.31 133.01 62.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -140.25 -178.19 16.71 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.478 1.111 . . . . 0.0 111.025 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 23.6 t30 56.92 32.13 20.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 0.799 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.469 HD11 ' CG1' ' A' ' 20' ' ' VAL . 1.3 mt -101.95 122.29 47.73 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 168.49 24.71 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.461 1.769 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.571 ' CE2' ' HD2' ' A' ' 56' ' ' PRO . 3.4 m-85 -69.42 -5.9 26.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.15 -9.62 52.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.465 ' HB3' ' CG2' ' A' ' 23' ' ' ILE . . . -113.77 98.06 6.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.24 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.2 p -90.02 174.09 7.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.413 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.457 ' HG3' ' CD1' ' A' ' 47' ' ' LEU . 19.1 mt-10 -58.03 -30.28 66.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.44 -33.18 74.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.329 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -87.9 -45.51 10.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.463 HD22 ' CD1' ' A' ' 23' ' ' ILE . 11.0 mp -59.19 -49.31 78.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -57.06 -37.92 72.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.9 -41.11 97.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.568 HG12 ' CE2' ' A' ' 82' ' ' PHE . 5.8 mt -65.69 -47.01 87.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.509 ' CZ ' HG21 ' A' ' 20' ' ' VAL . 3.4 m-85 -67.96 -28.37 67.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.506 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -62.15 -32.42 73.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.0 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -62.77 -11.37 17.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.479 HG13 ' CA ' ' A' ' 73' ' ' ALA . 86.7 t -102.39 -10.42 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.506 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 147.13 -171.36 27.84 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.448 1.092 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 121.03 6.33 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.522 1.801 . . . . 0.0 111.037 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.473 ' CG1' ' SG ' ' A' ' 62' ' ' CYS . 2.2 t -86.05 126.44 40.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.459 ' CG2' ' HB2' ' A' ' 65' ' ' GLN . 23.6 t -75.13 -70.87 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 98.7 p -140.02 164.32 30.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.998 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.594 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.7 OUTLIER -158.71 115.31 2.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.995 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.62 135.09 41.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 110.287 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.467 ' CD2' ' HA3' ' A' ' 60' ' ' GLY . 0.2 OUTLIER -110.86 176.47 5.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.344 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.561 HG22 ' CD2' ' A' ' 59' ' ' TYR . 3.5 m -87.01 121.93 38.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 1.0 OUTLIER -125.85 119.71 28.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.528 ' CB ' ' CG2' ' A' ' 53' ' ' THR . 14.5 m-20 -76.17 110.02 10.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.9 mtp-105 -71.89 -27.34 62.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -68.26 -32.19 72.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.249 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.528 ' CG2' ' CB ' ' A' ' 50' ' ' ASP . 8.5 t -112.16 -0.71 15.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.355 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 49.41 21.25 2.89 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.483 1.114 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -117.85 146.06 38.07 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.487 0.757 . . . . 0.0 109.296 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.571 ' HD2' ' CE2' ' A' ' 25' ' ' TYR . 18.3 Cg_endo -74.96 137.76 22.23 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.517 1.799 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.56 ' HB3' ' CE1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -56.97 -57.25 13.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 141.98 -19.61 2.52 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.561 ' CD2' HG22 ' A' ' 48' ' ' VAL . 31.0 p90 -124.52 156.63 37.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.773 . . . . 0.0 111.02 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.467 ' HA3' ' CD2' ' A' ' 47' ' ' LEU . . . -157.95 -175.09 28.48 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.57 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 73.8 m-85 -132.41 140.29 48.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.768 . . . . 0.0 110.954 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.594 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 14.1 t -121.05 124.32 44.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 108.287 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.404 ' HA ' ' HA ' ' A' ' 17' ' ' SER . 2.5 tt0 -99.87 123.32 44.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.259 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -93.16 -169.65 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.98 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.459 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . 3.0 tt0 -115.12 -14.63 11.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -129.95 132.18 46.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.351 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.432 ' CG ' ' HB3' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -62.55 -45.61 92.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 110.27 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -59.9 -37.38 79.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 53.1 m -65.5 -43.71 89.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.404 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.63 -39.19 93.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.413 ' HG ' ' N ' ' A' ' 72' ' ' SER . 0.1 OUTLIER -68.95 -48.5 63.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.428 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 1.4 t -60.03 -37.46 79.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.999 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.479 ' CA ' HG13 ' A' ' 39' ' ' VAL . . . -66.69 -38.85 87.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.523 ' O ' ' CB ' ' A' ' 78' ' ' ASN . 3.3 mtp -64.57 -46.5 82.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.949 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -77.68 -25.63 49.63 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.428 ' CB ' ' O ' ' A' ' 72' ' ' SER . 68.7 m-20 -76.19 -36.07 58.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 78' ' ' ASN . 9.9 mp -102.08 -91.45 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.523 ' CB ' ' O ' ' A' ' 74' ' ' MET . 1.6 t-20 37.29 89.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 73.24 33.11 59.43 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.92 121.21 26.21 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.459 0.74 . . . . 0.0 110.334 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.4 139.78 52.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.568 ' CE2' HG12 ' A' ' 35' ' ' ILE . 29.9 t80 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.97 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.57 ' CD2' ' CG1' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -90.28 93.6 9.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.06 102.08 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 25.4 t -109.33 122.49 64.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.537 ' OD2' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -139.9 138.88 36.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.455 ' N ' ' SD ' ' A' ' 74' ' ' MET . 1.5 t30 -44.7 125.44 4.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -65.5 -11.8 46.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -91.99 26.54 2.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.9 151.08 30.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.996 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -63.92 -36.83 85.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 110.321 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.35 -33.87 32.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.346 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.421 ' ND2' ' HB3' ' A' ' 19' ' ' PHE . 5.0 m-20 -72.23 -19.9 61.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.41 -39.08 91.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 109.25 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -65.09 -39.16 92.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.292 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.59 -42.75 67.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.57 ' HG ' ' CZ ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -62.91 -32.87 74.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 109.254 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -52.57 -28.56 21.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.5 m -85.49 -36.93 20.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.988 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.3 tp . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 179.986 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.436 ' CB ' ' NE2' ' A' ' 67' ' ' GLN . 1.0 OUTLIER -69.44 -13.73 62.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.127 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.523 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 22.2 mtm-85 -89.37 -65.24 1.04 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.348 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.514 ' O ' ' CB ' ' A' ' 92' ' ' ALA . 2.4 p -34.13 120.34 0.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.971 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.558 ' CG2' ' CG1' ' A' ' 89' ' ' VAL . 5.0 p -116.21 123.9 71.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.595 ' CD1' ' OD2' ' A' ' 90' ' ' ASP . 0.6 OUTLIER -77.4 143.85 38.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 111.016 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.465 HG12 ' CD1' ' A' ' 23' ' ' ILE . 59.6 t -134.23 132.95 55.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -141.09 -170.89 12.35 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.528 1.143 . . . . 0.0 111.03 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.4 t30 54.6 32.86 17.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 0.729 . . . . 0.0 109.271 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.465 ' CD1' HG12 ' A' ' 20' ' ' VAL . 2.8 mt -96.28 127.24 41.02 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 159.04 41.71 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.498 1.788 . . . . 0.0 111.0 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -63.13 -11.33 19.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.11 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -91.56 -9.73 43.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.46 ' HB3' ' CG2' ' A' ' 23' ' ' ILE . . . -108.88 94.9 5.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.4 p -90.43 174.48 7.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.425 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.403 ' OE2' ' O ' ' A' ' 45' ' ' PHE . 7.9 mt-10 -57.69 -30.21 65.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 110.336 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -60.51 -33.64 72.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -89.37 -44.89 9.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.431 HD13 ' N ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -56.89 -49.12 76.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.51 ' CG ' ' CG2' ' A' ' 42' ' ' VAL . 1.6 ttpt -60.98 -38.07 84.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -64.86 -38.69 91.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.424 HD11 ' CE1' ' A' ' 82' ' ' PHE . 7.6 mt -68.06 -46.98 80.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.486 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 1.0 OUTLIER -68.43 -27.22 65.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 111.014 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.433 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 31.3 p -60.75 -40.3 91.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.016 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -70.29 -14.09 62.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.286 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.456 ' CG1' ' HA ' ' A' ' 73' ' ' ALA . 3.0 t -105.47 7.24 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.433 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 137.58 163.37 9.64 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.544 1.153 . . . . 0.0 111.068 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 117.85 5.06 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.5 1.789 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.51 ' CG2' ' CG ' ' A' ' 33' ' ' LYS . 18.1 m -87.29 127.37 40.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.465 ' CG2' ' HG3' ' A' ' 65' ' ' GLN . 69.0 t -72.2 -56.57 9.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.7 167.06 25.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.008 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.624 ' CE1' ' CD2' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -159.67 118.55 2.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.15 131.04 34.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.324 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.624 ' CD2' ' CE1' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -109.43 175.42 5.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.573 HG23 ' CD2' ' A' ' 59' ' ' TYR . 4.2 m -88.18 121.67 38.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 0.9 OUTLIER -126.24 118.94 26.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 54' ' ' GLY . 45.0 m-20 -71.43 109.45 5.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.413 ' NH1' ' HB2' ' A' ' 51' ' ' ARG . 19.5 mtm105 -73.03 -30.38 63.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.307 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -71.24 -31.65 67.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.293 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.9 p -107.7 -3.09 19.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 110.321 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 49.7 20.57 2.87 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.5 1.125 . . . . 0.0 110.962 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -117.93 145.14 36.03 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.445 0.732 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . 18.3 Cg_endo -75.02 137.85 22.21 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.523 1.802 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 59' ' ' TYR . 0.3 OUTLIER -58.47 -57.6 12.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 139.09 -17.77 3.16 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.573 ' CD2' HG23 ' A' ' 48' ' ' VAL . 37.8 p90 -125.67 157.08 38.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.776 . . . . 0.0 111.049 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.469 ' HA3' ' CD2' ' A' ' 47' ' ' LEU . . . -160.71 -175.99 32.32 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.566 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 70.3 m-85 -131.85 136.93 47.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 0.797 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.576 ' HB2' ' CE1' ' A' ' 45' ' ' PHE . 12.1 t -114.8 124.59 52.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 108.291 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -98.7 122.57 42.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.586 ' CE1' ' CG2' ' A' ' 69' ' ' THR . 2.3 m-85 -92.13 -166.96 1.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.465 ' HG3' ' CG2' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -111.62 -12.63 13.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.266 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.7 133.07 23.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.436 ' NE2' ' CB ' ' A' ' 15' ' ' LEU . 7.3 tt0 -56.54 -35.72 68.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.321 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -61.21 -37.06 81.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.586 ' CG2' ' CE1' ' A' ' 64' ' ' TYR . 98.8 m -68.38 -42.88 78.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.376 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 16' ' ' ARG . . . -65.59 -40.01 92.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.252 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.9 mt -70.51 -46.15 64.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.356 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.452 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 47.8 t -61.45 -38.87 88.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.456 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . . . -66.56 -38.18 86.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.532 ' O ' ' CB ' ' A' ' 78' ' ' ASN . 0.9 OUTLIER -62.92 -46.9 85.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.999 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.78 -24.85 48.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.258 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 72' ' ' SER . 21.5 m-20 -74.86 -35.93 62.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.496 ' O ' ' C ' ' A' ' 78' ' ' ASN . 9.7 mp -103.71 -93.48 0.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.532 ' CB ' ' O ' ' A' ' 74' ' ' MET . 6.2 t30 32.37 82.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 92.5 33.31 7.61 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -90.84 120.11 31.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 110.269 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -65.9 139.5 58.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.311 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.424 ' CE1' HD11 ' A' ' 35' ' ' ILE . 39.4 t80 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.63 96.1 6.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.415 ' O ' ' HA ' ' A' ' 20' ' ' VAL . 47.1 mtt-85 -81.77 127.55 33.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.558 ' CG1' ' CG2' ' A' ' 18' ' ' VAL . 57.3 t -125.95 130.14 72.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.595 ' OD2' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -140.18 154.45 46.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.341 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.443 ' OD1' ' CE ' ' A' ' 74' ' ' MET . 0.8 OUTLIER -60.58 122.67 15.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -61.78 -14.11 29.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -91.33 22.23 4.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.2 t -79.67 150.37 30.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.007 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -67.99 -32.01 72.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.311 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.8 pttt -81.03 -34.5 32.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.437 ' ND2' ' CB ' ' A' ' 19' ' ' PHE . 5.8 m-20 -72.66 -19.71 61.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.25 -32.62 74.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.19 -41.7 85.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -71.59 -43.01 67.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.566 ' HG ' ' CZ ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -62.93 -32.9 74.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 29.2 tttt -55.25 -28.88 56.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.7 m -85.5 -34.35 21.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.977 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.459 ' CD1' HG13 ' A' ' 48' ' ' VAL . 7.0 tp . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.457 ' HB3' ' CG ' ' A' ' 67' ' ' GLN . 0.1 OUTLIER -69.1 -18.08 63.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -99.58 50.83 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.239 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.511 ' O ' ' CB ' ' A' ' 92' ' ' ALA . 35.2 m -164.51 123.96 1.92 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.437 ' CG1' ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -119.84 125.6 74.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.572 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 15.9 t80 -77.78 129.39 35.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.47 ' CG1' HD11 ' A' ' 23' ' ' ILE . 2.1 t -121.79 132.91 69.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -136.1 -167.84 11.34 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 51.34 30.52 6.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 0.749 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.473 ' CG2' ' HB3' ' A' ' 27' ' ' ALA . 1.2 mt -98.06 114.44 65.11 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 176.46 9.88 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.505 1.792 . . . . 0.0 111.055 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.571 ' CE2' ' HD2' ' A' ' 56' ' ' PRO . 3.9 m-85 -73.18 -3.07 24.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 111.019 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -91.53 -9.89 42.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.473 ' HB3' ' CG2' ' A' ' 23' ' ' ILE . . . -116.42 96.69 5.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.2 p -90.55 173.82 7.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.363 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.456 ' HG3' ' CD1' ' A' ' 47' ' ' LEU . 14.8 mt-10 -57.94 -31.32 66.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -63.77 -33.26 75.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -84.53 -44.72 13.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.471 ' CD2' HD11 ' A' ' 87' ' ' LEU . 16.4 mt -58.95 -49.21 78.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.462 ' CG ' HG21 ' A' ' 42' ' ' VAL . 2.2 ttpt -57.4 -37.84 73.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.118 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.1 -36.49 82.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.517 HD11 ' CE2' ' A' ' 82' ' ' PHE . 10.9 mt -67.97 -48.25 75.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.482 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 1.7 m-85 -69.48 -27.94 65.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.499 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -61.86 -33.08 73.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.987 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -69.8 -13.63 62.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.494 ' CG1' ' HA ' ' A' ' 73' ' ' ALA . 40.2 t -104.87 -1.01 9.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.499 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 138.75 173.22 12.89 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 118.77 5.38 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.474 1.776 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.482 ' CG1' ' HB3' ' A' ' 36' ' ' PHE . 3.1 m -85.74 148.01 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.469 HG23 ' CA ' ' A' ' 65' ' ' GLN . 2.3 t -83.48 -49.99 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.64 166.76 13.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.963 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.682 ' CE1' ' CD2' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -149.74 117.8 6.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.6 mtm-85 -125.42 131.88 52.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.682 ' CD2' ' CE1' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -117.85 171.24 8.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.574 HG23 ' CE2' ' A' ' 59' ' ' TYR . 3.1 m -86.32 121.78 37.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.553 ' CE1' ' HB3' ' A' ' 56' ' ' PRO . 0.9 OUTLIER -124.93 118.92 27.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 111.021 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 54' ' ' GLY . 68.5 m-20 -71.08 109.13 4.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.097 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -73.01 -29.89 63.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.288 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -71.02 -32.33 69.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.323 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.6 m -106.72 -4.38 19.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.429 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 53.9 17.5 7.24 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.539 1.149 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.7 mmtm -117.93 145.5 36.88 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.553 0.796 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.571 ' HD2' ' CE2' ' A' ' 25' ' ' TYR . 18.2 Cg_endo -74.95 137.59 22.04 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.492 1.785 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.485 ' HB2' ' CG2' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -53.84 -58.29 7.8 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 140.56 -17.01 2.87 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.452 1.095 . . . . 0.0 111.021 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.574 ' CE2' HG23 ' A' ' 48' ' ' VAL . 52.1 p90 -125.25 157.77 35.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 0.749 . . . . 0.0 110.973 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -164.67 -173.67 33.56 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.472 1.107 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.578 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 65.8 m-85 -132.2 145.72 51.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 0.778 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.596 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 11.6 t -121.93 124.45 44.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 108.312 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.41 ' HA ' ' HA ' ' A' ' 17' ' ' SER . 4.4 tt0 -100.2 127.26 46.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.522 ' CD1' HG23 ' A' ' 69' ' ' THR . 4.4 m-85 -98.54 -173.67 2.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 111.031 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.469 ' CA ' HG23 ' A' ' 43' ' ' VAL . 3.1 tm0? -113.83 -15.21 12.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -130.41 134.13 46.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.457 ' CG ' ' HB3' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -59.29 -47.99 83.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.257 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -60.68 -36.68 79.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.338 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.522 HG23 ' CD1' ' A' ' 64' ' ' TYR . 53.8 m -64.3 -44.56 91.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.402 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.497 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . . . -67.71 -40.44 84.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.7 mt -67.67 -38.6 83.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.453 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 36.7 m -65.63 -38.25 88.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.13 . . . . 0.0 109.999 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.494 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . . . -66.45 -38.72 87.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.527 ' O ' ' CB ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -63.45 -46.74 84.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 111.047 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.66 -25.77 49.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 72' ' ' SER . 0.9 OUTLIER -75.79 -35.2 60.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.335 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.487 ' CD1' ' O ' ' A' ' 73' ' ' ALA . 6.0 mp -104.42 -91.05 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.527 ' CB ' ' O ' ' A' ' 74' ' ' MET . 0.8 OUTLIER 39.47 90.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 61.03 40.75 98.94 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.1 131.3 34.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.752 . . . . 0.0 110.326 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.65 132.1 47.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.26 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.517 ' CE2' HD11 ' A' ' 35' ' ' ILE . 2.4 t80 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.107 . . . . 0.0 111.032 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.471 HD11 ' CD2' ' A' ' 32' ' ' LEU . 7.9 mt -105.38 93.66 4.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 61.8 mtt85 -62.89 119.77 10.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.316 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 24.5 t -125.55 125.93 69.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -139.23 154.55 48.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -57.83 129.3 41.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -68.16 -9.58 47.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 109.26 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -96.89 19.34 12.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.426 ' HB3' ' ND2' ' A' ' 97' ' ' ASN . 5.3 t -79.76 152.31 29.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.022 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -59.92 -37.13 78.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -81.82 -26.58 34.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.451 ' OD1' ' CB ' ' A' ' 19' ' ' PHE . 1.4 m-80 -71.99 -22.57 61.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.6 mttp -68.26 -35.85 78.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.83 -42.57 90.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.26 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.58 -43.01 67.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.334 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.578 ' HG ' ' CZ ' ' A' ' 61' ' ' PHE . 0.4 OUTLIER -61.6 -32.88 73.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.1 tttt -54.06 -32.36 54.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.5 m -86.26 -24.14 26.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.998 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.457 ' CD2' ' CG1' ' A' ' 48' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.541 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -70.24 -13.04 62.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.2 mtm-85 -112.17 75.42 0.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.464 ' HB3' ' CB ' ' A' ' 92' ' ' ALA . 0.1 OUTLIER 175.37 143.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.953 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.424 ' CG1' ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -125.06 125.93 70.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.521 ' CE1' ' OE2' ' A' ' 100' ' ' GLU . 21.5 t80 -74.72 129.41 37.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.481 ' CG1' HD12 ' A' ' 87' ' ' LEU . 1.8 t -115.37 133.25 62.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -145.52 -179.67 21.96 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.6 t30 61.75 32.09 18.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 0.736 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.473 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 2.2 mt -98.77 140.55 21.85 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.03 -162.47 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.556 1.819 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -97.5 -26.69 14.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.12 -9.54 58.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.148 . . . . 0.0 110.351 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -102.87 94.02 5.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.2 p -89.81 174.36 7.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 110.379 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.465 ' HG3' ' CD2' ' A' ' 47' ' ' LEU . 25.2 mt-10 -57.63 -31.57 66.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.82 -33.65 75.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -84.62 -44.41 13.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.453 ' HA ' ' CD1' ' A' ' 35' ' ' ILE . 20.1 mt -57.97 -49.53 76.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.457 ' HG3' ' CG1' ' A' ' 42' ' ' VAL . 1.8 ttpm? -57.27 -38.16 73.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.65 -35.92 81.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.571 HG12 ' CE2' ' A' ' 82' ' ' PHE . 9.1 mt -68.33 -48.41 73.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.461 ' CE2' HG23 ' A' ' 20' ' ' VAL . 15.7 m-85 -68.93 -29.44 67.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 111.035 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.428 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 75.6 p -63.35 -36.74 84.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.985 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -69.66 -12.5 61.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.458 ' CG1' ' HA ' ' A' ' 73' ' ' ALA . 2.5 t -104.01 7.04 10.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.428 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 139.97 -178.37 19.85 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.503 1.127 . . . . 0.0 110.983 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 121.24 6.46 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.508 1.793 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.457 ' CG1' ' HG3' ' A' ' 33' ' ' LYS . 24.4 t -92.37 139.07 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.485 ' CG2' ' HB2' ' A' ' 65' ' ' GLN . 47.4 t -94.19 -70.47 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.88 171.76 14.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.0 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.591 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.5 OUTLIER -166.05 114.63 0.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.99 128.68 40.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.569 HD12 ' CD2' ' A' ' 49' ' ' TYR . 4.1 pp -113.68 178.21 4.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.577 HG21 ' CD2' ' A' ' 59' ' ' TYR . 2.8 m -86.9 121.54 37.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.582 ' CE1' ' HB3' ' A' ' 56' ' ' PRO . 1.1 m-85 -123.45 119.87 31.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.522 ' CB ' ' CG2' ' A' ' 53' ' ' THR . 3.9 m-20 -77.6 110.12 12.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -71.77 -27.01 62.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -68.07 -31.9 71.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.522 ' CG2' ' CB ' ' A' ' 50' ' ' ASP . 8.1 t -111.82 -3.08 15.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.414 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 53.48 17.93 6.78 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.453 1.095 . . . . 0.0 110.964 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -117.82 146.42 38.86 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.46 0.741 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.582 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 18.3 Cg_endo -75.01 137.43 21.69 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.498 1.788 . . . . 0.0 110.964 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.575 ' HB3' ' CE1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -52.86 -58.09 8.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 143.06 -17.27 2.34 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.512 1.132 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.577 ' CD2' HG21 ' A' ' 48' ' ' VAL . 29.4 p90 -125.75 156.51 39.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.76 . . . . 0.0 110.947 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.481 ' HA3' ' CB ' ' A' ' 47' ' ' LEU . . . -165.3 -169.5 29.01 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.498 1.124 . . . . 0.0 111.041 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.554 ' CE2' ' HG ' ' A' ' 101' ' ' LEU . 33.9 m-85 -132.44 137.44 47.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.76 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.591 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 34.1 t -113.69 124.95 53.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 108.281 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -99.13 123.43 43.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.258 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.534 ' CE1' HG22 ' A' ' 69' ' ' THR . 2.0 m-85 -92.61 -167.53 1.77 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.995 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.485 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . 0.3 OUTLIER -113.1 -13.66 13.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 110.33 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -141.12 132.92 27.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.38 -38.35 74.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.86 -38.16 89.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.534 HG22 ' CE1' ' A' ' 64' ' ' TYR . 64.1 m -66.74 -41.28 88.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.375 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.441 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . . . -66.49 -39.19 88.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.418 ' HG ' ' N ' ' A' ' 72' ' ' SER . 0.1 OUTLIER -69.34 -48.55 61.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.601 1.188 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.418 ' N ' ' HG ' ' A' ' 71' ' ' LEU . 7.5 t -59.95 -38.06 81.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.458 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . . . -66.39 -38.23 87.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.498 ' O ' ' CB ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -62.6 -46.58 87.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.995 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -77.44 -25.99 51.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 22.1 m-20 -74.98 -35.22 62.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 78' ' ' ASN . 1.5 mt -103.17 -91.2 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 74' ' ' MET . 2.5 t30 36.01 87.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 79.95 37.56 21.95 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.22 120.91 28.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.72 137.84 58.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.571 ' CE2' HG12 ' A' ' 35' ' ' ILE . 58.0 t80 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 111.032 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.481 HD12 ' CG1' ' A' ' 20' ' ' VAL . 2.2 mm? -100.44 96.26 7.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -71.9 103.08 3.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.317 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.9 t -106.61 122.9 61.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.27 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 91' ' ' ASN . 0.0 OUTLIER -139.61 138.66 36.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 90' ' ' ASP . 1.7 t30 -38.93 120.19 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.464 ' CB ' ' HB3' ' A' ' 17' ' ' SER . . . -59.63 -22.72 62.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -91.47 37.87 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.415 ' HB2' ' ND2' ' A' ' 97' ' ' ASN . 0.4 OUTLIER -86.58 153.78 21.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.97 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -63.92 -36.65 84.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.306 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -81.2 -33.63 32.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.108 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.415 ' ND2' ' HB2' ' A' ' 94' ' ' SER . 63.9 m-20 -72.16 -19.69 61.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.29 -46.04 85.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.352 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.3 -36.93 81.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.521 ' OE2' ' CE1' ' A' ' 19' ' ' PHE . 16.3 tt0 -71.53 -42.04 68.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.268 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.554 ' HG ' ' CE2' ' A' ' 61' ' ' PHE . 0.6 OUTLIER -62.69 -32.79 73.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.56 -29.38 10.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.0 m -85.49 -38.03 19.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.992 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.462 ' CD1' HG13 ' A' ' 48' ' ' VAL . 2.3 tp . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.488 ' O ' ' CB ' ' A' ' 93' ' ' ALA . 13.3 m . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.544 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -67.23 -19.81 65.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.454 ' NH2' ' O ' ' A' ' 64' ' ' TYR . 17.4 mtp180 -109.75 -159.11 0.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.503 ' O ' ' CB ' ' A' ' 92' ' ' ALA . 3.5 m 60.54 124.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 110.044 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.443 ' CG1' ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -123.66 125.33 71.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 109.301 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.561 ' CE2' ' HG3' ' A' ' 100' ' ' GLU . 2.0 t80 -77.6 129.23 35.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.491 HG21 ' CZ ' ' A' ' 36' ' ' PHE . 2.6 t -123.75 132.97 70.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -142.39 -173.72 14.47 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.526 1.141 . . . . 0.0 110.967 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.435 ' ND2' ' O ' ' A' ' 86' ' ' ALA . 6.0 t30 61.24 24.92 14.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 0.773 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.467 ' CG2' ' HB2' ' A' ' 27' ' ' ALA . 2.4 mt -96.94 114.73 65.1 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 178.86 6.69 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.476 1.777 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -73.9 -5.87 43.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -86.02 -9.73 56.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.336 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.467 ' HB2' ' CG2' ' A' ' 23' ' ' ILE . . . -118.43 99.11 6.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.469 ' O ' ' CD2' ' A' ' 32' ' ' LEU . 14.7 p -90.95 174.05 7.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.45 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.404 ' OE1' ' O ' ' A' ' 45' ' ' PHE . 7.1 mt-10 -58.04 -30.55 66.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.334 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -61.44 -33.35 73.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -89.56 -44.79 9.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.469 ' CD2' ' O ' ' A' ' 28' ' ' THR . 0.2 OUTLIER -57.63 -49.35 76.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.471 ' HD2' ' CG2' ' A' ' 42' ' ' VAL . 13.3 tttp -61.92 -37.41 84.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.89 -39.58 90.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 8.5 mt -67.61 -47.55 79.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.491 ' CZ ' HG21 ' A' ' 20' ' ' VAL . 3.3 m-85 -68.51 -27.78 66.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.978 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.537 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 52.0 m -62.92 -33.05 74.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.993 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -63.93 -15.85 60.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 0.0 110.273 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.485 ' CG1' ' N ' ' A' ' 73' ' ' ALA . 46.7 t -105.34 7.94 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.537 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 127.96 173.2 13.4 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.451 1.094 . . . . 0.0 110.966 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 120.6 6.15 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.519 1.799 . . . . 0.0 111.037 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.528 HG12 ' CE1' ' A' ' 64' ' ' TYR . 2.5 m -85.48 122.49 38.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.478 ' CG2' ' HB2' ' A' ' 65' ' ' GLN . 2.0 t -56.16 -55.94 15.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.87 153.49 16.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.026 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.571 ' CE2' ' HB2' ' A' ' 62' ' ' CYS . 0.5 OUTLIER -136.29 117.9 14.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 111.015 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.25 130.56 53.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.323 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.544 ' N ' ' CD1' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -115.77 167.69 10.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.257 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.583 ' CG2' ' CE2' ' A' ' 59' ' ' TYR . 2.9 m -86.28 121.56 37.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.537 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 2.8 m-85 -123.0 120.25 32.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 111.002 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 54' ' ' GLY . 5.3 m-20 -73.65 107.37 5.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -73.48 -25.94 60.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.77 -31.69 71.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.513 ' CG2' ' HB2' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -111.47 -8.82 14.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.405 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 63.13 17.86 59.58 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.528 1.143 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.513 ' HB2' ' CG2' ' A' ' 53' ' ' THR . 0.7 OUTLIER -118.18 146.24 38.88 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.558 0.799 . . . . 0.0 109.283 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.537 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . 18.3 Cg_endo -75.03 137.57 21.83 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.783 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.565 ' HB3' ' CE1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -52.94 -58.74 5.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 141.03 -17.06 2.76 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.12 . . . . 0.0 111.032 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.583 ' CE2' ' CG2' ' A' ' 48' ' ' VAL . 37.0 p90 -125.86 157.06 38.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 0.753 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -161.56 -174.15 31.08 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.515 1.134 . . . . 0.0 111.037 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.572 ' CE2' ' HG ' ' A' ' 101' ' ' LEU . 87.2 m-85 -131.78 138.08 48.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 0.76 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.571 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 24.2 t -112.44 123.88 51.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 108.277 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.425 ' HA ' ' HA ' ' A' ' 17' ' ' SER . 20.0 tt0 -99.8 123.26 43.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.543 ' CD1' HG22 ' A' ' 69' ' ' THR . 18.8 m-85 -101.38 -173.7 2.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.478 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . 3.2 tp60 -110.7 -29.82 7.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -115.35 131.42 56.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -60.06 -39.95 87.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.332 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.14 -37.54 87.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.543 HG22 ' CD1' ' A' ' 64' ' ' TYR . 72.6 m -65.75 -44.95 84.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.427 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.79 -39.4 84.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.5 mt -67.8 -40.58 83.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 109.352 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.454 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 5.7 t -63.69 -38.63 91.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.485 ' N ' ' CG1' ' A' ' 39' ' ' VAL . . . -66.87 -38.16 85.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.505 ' O ' ' CB ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -64.48 -46.08 84.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 110.978 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.41 -26.16 51.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 72' ' ' SER . 1.0 OUTLIER -75.8 -36.56 59.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.251 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.562 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.4 OUTLIER -101.06 -91.06 0.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 74' ' ' MET . 2.6 t30 37.85 89.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.347 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 69.43 37.15 78.86 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.98 121.09 26.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 0.743 . . . . 0.0 110.269 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.4 137.48 56.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.268 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 38.1 t80 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 111.001 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.435 ' O ' ' ND2' ' A' ' 22' ' ' ASN . . . . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.462 ' CD1' HG12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -95.33 92.65 6.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.29 120.09 10.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 24.9 t -125.66 126.08 69.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -139.24 154.93 48.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.452 ' N ' ' SD ' ' A' ' 74' ' ' MET . 0.5 OUTLIER -60.33 133.78 56.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -68.0 -14.44 62.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 14' ' ' SER . . . -87.49 13.5 9.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.1 m -79.02 139.32 38.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.011 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -59.97 -36.66 77.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.335 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -74.73 -33.91 62.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 91' ' ' ASN . 10.2 m-20 -72.55 -19.16 61.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.05 -29.72 71.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.355 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -67.23 -43.77 81.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.531 1.145 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.561 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 11.0 mm-40 -71.82 -42.99 66.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.357 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.572 ' HG ' ' CE2' ' A' ' 61' ' ' PHE . 0.4 OUTLIER -62.1 -32.83 73.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.67 -31.65 7.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.1 t -85.84 -34.71 20.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.028 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.561 ' CD2' ' CG1' ' A' ' 48' ' ' VAL . 2.1 mm? . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 74.3 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.482 ' HB3' ' CG ' ' A' ' 67' ' ' GLN . 1.6 mm? -69.41 -14.56 62.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -107.36 69.03 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.297 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.46 ' HA ' ' HA ' ' A' ' 63' ' ' GLU . 10.4 m -177.23 134.53 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.004 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -123.17 125.41 71.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.707 ' CD1' ' CZ ' ' A' ' 61' ' ' PHE . 14.5 t80 -80.12 129.12 34.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.972 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.457 HG13 ' CD1' ' A' ' 23' ' ' ILE . 0.3 OUTLIER -116.09 132.97 64.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.5 ' O ' ' CB ' ' A' ' 22' ' ' ASN . . . -156.77 160.02 30.0 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 21' ' ' GLY . 26.3 t30 81.51 36.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 0.748 . . . . 0.0 109.328 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.492 ' CG2' ' CD2' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -113.05 146.01 34.28 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.437 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.5 Cg_endo -75.0 -162.49 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.781 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -98.6 -24.9 14.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 111.007 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.31 -9.31 46.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -107.79 96.93 6.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.6 p -89.91 174.36 7.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.401 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.407 ' OE1' ' O ' ' A' ' 45' ' ' PHE . 8.4 mt-10 -57.7 -30.75 65.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.04 -33.18 75.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.34 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -87.14 -45.14 10.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.457 ' CD2' HD13 ' A' ' 23' ' ' ILE . 11.0 mp -59.09 -49.08 79.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.446 ' HG3' ' CG1' ' A' ' 42' ' ' VAL . 1.9 tttt -58.0 -37.5 74.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.83 -36.79 80.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.562 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 9.6 mt -68.26 -47.89 76.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.449 ' CE2' ' HB3' ' A' ' 62' ' ' CYS . 3.9 m-85 -68.83 -33.08 73.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.504 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 69.0 m -64.8 -32.88 74.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 110.018 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -64.46 -13.2 50.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.467 ' CG1' ' HA ' ' A' ' 73' ' ' ALA . 7.8 t -104.98 7.12 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.504 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 141.77 -177.31 21.4 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.493 1.121 . . . . 0.0 111.059 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 116.31 4.55 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.529 1.805 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.446 ' CG1' ' HG3' ' A' ' 33' ' ' LYS . 3.3 t -85.94 122.34 38.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.466 ' CG2' ' HB2' ' A' ' 65' ' ' GLN . 16.6 t -77.68 -74.78 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.24 164.84 21.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 110.006 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.59 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.5 OUTLIER -165.36 113.83 1.01 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.992 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.92 135.5 45.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.567 ' CD2' ' CE1' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -112.15 171.16 7.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.573 HG13 ' CE1' ' A' ' 59' ' ' TYR . 3.5 m -86.43 129.48 38.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.514 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 1.3 m-85 -129.6 119.72 24.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 54' ' ' GLY . 1.7 m-20 -71.04 108.44 4.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.418 ' HB3' ' NH1' ' A' ' 51' ' ' ARG . 14.5 mtp-105 -73.72 -30.5 62.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -71.45 -32.42 68.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.5 m -105.79 -4.28 21.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 110.43 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 54.22 17.45 7.91 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt -117.78 145.42 36.51 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.521 0.777 . . . . 0.0 109.263 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.514 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . 18.2 Cg_endo -74.98 137.74 22.17 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.446 1.761 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.479 ' HB2' ' CG2' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -53.73 -57.22 11.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.557 1.16 . . . . 0.0 109.273 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 138.49 -19.45 3.19 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.535 1.147 . . . . 0.0 111.022 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.573 ' CE1' HG13 ' A' ' 48' ' ' VAL . 1.9 p90 -123.04 159.22 28.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.769 . . . . 0.0 110.947 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.445 ' CA ' ' HA ' ' A' ' 47' ' ' LEU . . . -158.83 -171.61 24.87 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.707 ' CZ ' ' CD1' ' A' ' 19' ' ' PHE . 84.0 m-85 -132.2 141.92 49.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 0.795 . . . . 0.0 111.014 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.59 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 36.5 t -124.35 121.33 34.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 108.28 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.46 ' HA ' ' HA ' ' A' ' 17' ' ' SER . 4.7 tt0 -100.2 123.32 44.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.468 ' CD2' ' HA ' ' A' ' 70' ' ' ALA . 18.4 m-85 -93.4 -170.41 2.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.466 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . 4.4 tt0 -113.2 -15.51 12.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.96 131.61 47.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.482 ' CG ' ' HB3' ' A' ' 15' ' ' LEU . 2.2 tm0? -62.32 -44.78 95.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.322 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -59.68 -37.52 79.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.5 m -67.19 -41.21 86.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.411 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.468 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . . . -67.76 -39.79 84.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.5 mt -69.2 -44.29 72.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.451 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 8.7 t -63.05 -37.68 88.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.013 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.467 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . . . -66.89 -37.87 85.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.239 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.506 ' O ' ' CB ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -63.23 -47.29 83.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -78.19 -26.26 47.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 72' ' ' SER . 69.5 m-20 -76.94 -32.15 57.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 78' ' ' ASN . 1.9 mt -105.02 -90.82 0.4 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 74' ' ' MET . 2.1 t-20 37.06 88.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 75.76 38.81 35.73 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.524 1.14 . . . . 0.0 110.949 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.95 120.66 25.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -61.04 135.1 57.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.323 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.562 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 34.6 t80 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 111.037 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.492 ' CD2' ' CG2' ' A' ' 23' ' ' ILE . 0.2 OUTLIER -91.69 91.01 7.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.436 ' CB ' ' O ' ' A' ' 21' ' ' GLY . 2.0 ttt180 -62.46 100.7 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 24.2 t -106.48 122.85 60.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 91' ' ' ASN . 0.0 OUTLIER -140.04 139.23 35.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.451 ' O ' ' ND2' ' A' ' 97' ' ' ASN . 1.9 t30 -39.06 130.17 1.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.445 ' CB ' ' HB3' ' A' ' 17' ' ' SER . . . -66.45 -21.68 66.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -89.35 41.3 1.03 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.24 150.44 20.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.978 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -36.55 84.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -81.22 -33.63 32.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.28 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.471 ' ND2' ' CB ' ' A' ' 19' ' ' PHE . 42.1 m-20 -72.19 -21.83 61.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.28 -35.68 81.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -66.57 -39.52 88.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.506 ' HG2' ' CZ ' ' A' ' 59' ' ' TYR . 0.4 OUTLIER -71.64 -43.74 65.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.284 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.58 ' HG ' ' CZ ' ' A' ' 61' ' ' PHE . 0.4 OUTLIER -62.67 -32.87 74.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.4 tptm -56.19 -30.1 61.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.1 m -85.74 -34.14 21.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 110.007 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.459 ' CD1' HG12 ' A' ' 48' ' ' VAL . 6.2 tp . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.456 ' HB3' ' CB ' ' A' ' 93' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.471 ' CB ' ' NE2' ' A' ' 67' ' ' GLN . 0.8 OUTLIER -69.42 -16.74 63.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.113 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.5 mtm-85 -95.96 -65.14 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.262 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.522 ' O ' ' CB ' ' A' ' 92' ' ' ALA . 3.0 p -39.2 116.88 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.023 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.442 ' CG1' ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -111.98 125.05 69.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 109.349 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.405 ' HD1' ' CE1' ' A' ' 61' ' ' PHE . 10.7 t80 -79.36 129.93 34.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.539 HG22 ' CE2' ' A' ' 36' ' ' PHE . 12.4 t -117.89 132.96 66.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -135.57 -175.67 13.96 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 65.0 t30 60.58 26.71 16.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 109.269 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.465 ' CD1' HG11 ' A' ' 20' ' ' VAL . 2.0 mt -98.82 118.15 63.37 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 179.65 5.87 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.479 1.779 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -74.53 -11.19 60.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -83.62 -9.7 58.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.33 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.47 ' HB3' ' CD1' ' A' ' 32' ' ' LEU . . . -110.79 96.06 5.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.1 p -90.13 173.94 7.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.402 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.41 ' CD ' ' O ' ' A' ' 45' ' ' PHE . 4.6 mt-10 -57.7 -30.49 65.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 110.317 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -63.1 -32.96 74.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -87.61 -46.19 9.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 27' ' ' ALA . 10.0 mp -58.29 -49.72 76.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.47 ' CE ' ' HB2' ' A' ' 45' ' ' PHE . 4.3 ttmt -58.18 -37.45 74.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.26 -35.63 78.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.57 HD13 ' CE1' ' A' ' 82' ' ' PHE . 11.1 mt -67.86 -48.67 74.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.539 ' CE2' HG22 ' A' ' 20' ' ' VAL . 0.8 OUTLIER -69.75 -29.74 67.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.993 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 97.5 p -63.16 -33.03 74.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.963 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.42 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 12.9 tt0 -64.45 -12.38 42.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.475 HG11 ' CA ' ' A' ' 73' ' ' ALA . 2.5 t -103.78 7.43 9.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.408 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 132.11 -171.41 21.43 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 113.46 3.8 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.467 1.772 . . . . 0.0 110.989 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.463 ' CG1' ' HG3' ' A' ' 33' ' ' LYS . 4.5 p -85.87 122.14 38.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.456 ' CG2' ' C ' ' A' ' 64' ' ' TYR . 84.4 t -65.52 -70.54 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 t -151.83 160.85 43.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.005 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.596 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.7 OUTLIER -142.91 115.98 8.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.1 134.36 54.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.292 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.537 ' N ' ' CD1' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -123.17 168.63 12.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.575 HG22 ' CE2' ' A' ' 59' ' ' TYR . 4.0 m -86.12 121.4 37.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.556 ' CE1' ' HB3' ' A' ' 56' ' ' PRO . 1.3 m-85 -125.07 119.18 27.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.97 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 54' ' ' GLY . 0.2 OUTLIER -72.16 108.99 5.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.5 mtt85 -73.02 -29.98 63.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.265 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.95 -32.0 68.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.28 -3.27 19.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.384 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 50.96 19.46 3.57 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.456 1.098 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.01 144.97 35.75 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.509 0.77 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.556 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 18.3 Cg_endo -74.97 137.6 22.01 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.477 1.778 . . . . 0.0 111.011 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.496 ' CB ' HG21 ' A' ' 48' ' ' VAL . 3.9 mmtt -56.97 -58.27 8.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 137.17 -15.64 3.7 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.536 1.147 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.575 ' CE2' HG22 ' A' ' 48' ' ' VAL . 52.6 p90 -125.85 158.02 36.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 0.749 . . . . 0.0 111.02 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.4 ' HA3' ' HA ' ' A' ' 47' ' ' LEU . . . -169.12 -170.73 34.07 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.133 . . . . 0.0 110.994 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.572 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 55.2 m-85 -131.96 137.26 47.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 0.781 . . . . 0.0 110.925 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.596 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 7.9 t -113.51 122.34 46.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 108.297 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -99.24 127.85 45.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 110.283 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.456 ' C ' ' CG2' ' A' ' 43' ' ' VAL . 7.3 m-85 -97.36 -169.68 1.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 110.979 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.436 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . 9.1 tt0 -105.88 -20.03 13.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -135.83 132.68 36.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.471 ' NE2' ' CB ' ' A' ' 15' ' ' LEU . 7.2 tt0 -57.2 -37.5 72.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.311 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -38.12 89.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.1 m -68.05 -41.79 81.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.411 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.06 -39.43 82.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 mt -69.25 -43.59 73.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.143 . . . . 0.0 109.317 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.453 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 3.9 m -63.13 -38.39 90.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.043 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.475 ' CA ' HG11 ' A' ' 39' ' ' VAL . . . -66.66 -38.14 86.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.525 ' O ' ' CB ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -62.98 -47.1 84.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 111.018 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 45.0 ttt-85 -77.72 -25.38 49.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 72' ' ' SER . 1.0 OUTLIER -76.83 -32.92 57.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.332 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.465 ' CD1' HG22 ' A' ' 39' ' ' VAL . 6.8 mp -106.41 -92.54 0.39 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.525 ' CB ' ' O ' ' A' ' 74' ' ' MET . 2.4 t30 37.35 86.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.82 35.73 24.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.442 1.089 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.4 121.09 29.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 0.79 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.24 140.7 55.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.57 ' CE1' HD13 ' A' ' 35' ' ' ILE . 40.1 t80 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 111.023 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.525 ' CD2' ' CG1' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -92.09 91.67 7.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.13 98.95 0.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.338 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.404 ' C ' ' OD1' ' A' ' 90' ' ' ASP . 46.0 t -106.87 120.89 58.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.45 ' N ' ' OD1' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -141.8 154.17 45.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -45.91 117.77 1.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.522 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -62.66 -13.49 32.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.456 ' CB ' ' HB3' ' A' ' 14' ' ' SER . . . -98.91 36.44 1.69 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.68 154.97 28.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.975 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -67.94 -36.62 80.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -77.45 -33.74 54.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.521 ' OD1' ' CD1' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -69.74 -16.33 63.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -30.37 68.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 109.31 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.69 -39.46 73.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.404 ' OE1' ' CE1' ' A' ' 19' ' ' PHE . 7.1 mt-10 -72.34 -44.09 63.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.572 ' HG ' ' CZ ' ' A' ' 61' ' ' PHE . 3.2 mt -61.24 -37.98 84.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -44.84 -30.99 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.83 -36.47 20.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.953 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.461 HD13 ' CG1' ' A' ' 48' ' ' VAL . 2.4 tp . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.47 ' HB3' ' CG ' ' A' ' 67' ' ' GLN . 0.2 OUTLIER -69.34 -15.99 63.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 17' ' ' SER . 30.0 mtp180 -100.86 -66.1 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' ' 92' ' ' ALA . 19.5 m -36.56 114.67 0.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.981 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.459 HG13 ' CB ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -111.04 124.96 68.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.482 ' CE1' ' HB2' ' A' ' 59' ' ' TYR . 26.5 t80 -75.9 129.07 36.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 111.029 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.57 HG23 ' CZ ' ' A' ' 36' ' ' PHE . 2.2 t -113.57 133.26 60.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -137.73 -176.08 14.25 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.55 1.156 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 31.1 t30 63.02 21.74 13.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 0.0 109.271 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.451 ' CG2' ' HB1' ' A' ' 27' ' ' ALA . 3.3 mt -95.48 114.43 63.88 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 109.343 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 175.55 11.08 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.492 1.785 . . . . 0.0 110.95 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -72.48 -3.1 22.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.961 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -91.54 -9.71 43.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.451 ' HB1' ' CG2' ' A' ' 23' ' ' ILE . . . -119.13 100.25 7.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.424 ' O ' ' CD2' ' A' ' 32' ' ' LEU . 10.4 p -90.53 174.28 7.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.167 . . . . 0.0 110.411 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.468 ' HG3' ' CD2' ' A' ' 47' ' ' LEU . 2.9 mt-10 -57.97 -29.93 65.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -60.5 -33.64 72.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -90.25 -45.15 9.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.424 ' CD2' ' O ' ' A' ' 28' ' ' THR . 0.2 OUTLIER -56.98 -48.86 77.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -61.29 -37.83 84.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -64.99 -39.98 94.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.574 HD12 ' CZ ' ' A' ' 82' ' ' PHE . 6.6 mt -68.16 -46.34 81.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.576 ' CD2' ' OH ' ' A' ' 64' ' ' TYR . 3.6 m-85 -67.4 -29.25 68.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.428 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 52.8 p -63.24 -38.15 90.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.027 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -64.75 -12.31 45.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.463 ' CG1' ' HA ' ' A' ' 73' ' ' ALA . 2.0 t -103.77 7.52 9.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.428 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 136.58 -177.78 19.38 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 122.9 7.52 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.792 . . . . 0.0 110.999 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.0 t -89.53 122.44 40.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.262 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.1 t -80.04 -68.71 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.437 1.086 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.42 169.81 16.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.972 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.599 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.6 OUTLIER -171.07 113.63 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.9 mmt85 -130.84 134.0 46.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 110.256 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.468 ' CD2' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -110.61 167.34 10.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.569 HG21 ' CD2' ' A' ' 59' ' ' TYR . 3.7 m -86.48 121.41 37.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.531 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 1.2 m-85 -123.45 119.12 29.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 111.049 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 54' ' ' GLY . 73.8 m-20 -70.88 108.65 4.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 -73.22 -29.85 63.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.286 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -70.92 -32.18 69.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.36 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.474 HG23 ' CD ' ' A' ' 55' ' ' LYS . 5.3 m -106.76 -4.51 19.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.413 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 54.53 17.07 7.89 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.474 ' CD ' HG23 ' A' ' 53' ' ' THR . 4.3 mttp -118.0 145.44 36.82 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.531 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . 18.4 Cg_endo -75.02 137.73 22.05 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.466 1.772 . . . . 0.0 111.03 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.558 ' HB3' ' CE1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -54.29 -57.65 10.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 139.17 -16.82 3.19 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.473 1.108 . . . . 0.0 111.044 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.569 ' CD2' HG21 ' A' ' 48' ' ' VAL . 40.8 p90 -125.54 156.95 38.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.567 0.804 . . . . 0.0 110.98 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -158.02 -171.08 23.5 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.451 1.095 . . . . 0.0 111.03 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.576 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 96.5 m-85 -132.48 137.91 47.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 0.0 111.014 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.599 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 38.7 t -118.77 120.51 37.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 108.308 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.405 ' OE2' ' NH2' ' A' ' 16' ' ' ARG . 0.9 OUTLIER -100.29 123.36 44.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.576 ' OH ' ' CD2' ' A' ' 36' ' ' PHE . 32.1 m-85 -98.33 -170.53 1.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 111.03 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.411 ' CG ' ' N ' ' A' ' 66' ' ' ASP . 9.9 pt20 -100.54 -43.18 6.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.411 ' N ' ' CG ' ' A' ' 65' ' ' GLN . 0.2 OUTLIER -101.82 140.1 36.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.47 ' CG ' ' HB3' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -64.86 -48.15 75.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -60.92 -37.17 81.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 87.4 m -66.64 -42.35 86.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.434 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.14 -39.7 82.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.443 ' HA ' ' CE ' ' A' ' 74' ' ' MET . 0.3 OUTLIER -69.61 -40.95 76.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.449 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 24.0 p -67.77 -37.94 82.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.994 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.493 ' O ' ' CD1' ' A' ' 77' ' ' LEU . . . -66.72 -37.34 84.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.492 ' HA ' ' CG1' ' A' ' 89' ' ' VAL . 0.3 OUTLIER -66.36 -46.79 75.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.443 ' N ' ' HG2' ' A' ' 74' ' ' MET . 0.0 OUTLIER -76.75 -27.02 55.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.3 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 72' ' ' SER . 74.1 m-20 -77.34 -35.75 54.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.567 HD23 ' CE1' ' A' ' 36' ' ' PHE . 1.2 mt -86.19 -40.82 15.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.57 1.169 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.468 ' CB ' ' O ' ' A' ' 74' ' ' MET . 11.3 t-20 -53.97 90.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . 115.25 23.06 4.64 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.469 1.105 . . . . 0.0 110.996 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -106.12 120.46 41.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 0.796 . . . . 0.0 110.283 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -71.05 138.61 49.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.574 ' CZ ' HD12 ' A' ' 35' ' ' ILE . 39.8 t80 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.41 ' O ' ' O ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -109.04 99.27 8.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.334 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 20.5 mtp180 -88.61 122.78 32.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.492 ' CG1' ' HA ' ' A' ' 74' ' ' MET . 6.5 t -125.63 127.91 71.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -139.04 146.6 41.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.44 ' O ' ' ND2' ' A' ' 97' ' ' ASN . 1.4 t30 -42.0 128.83 3.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -70.06 -8.12 46.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -92.31 26.97 2.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.421 ' HB2' ' ND2' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -79.87 152.02 29.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.025 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.436 ' CA ' ' OE1' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -59.98 -36.66 77.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.351 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.25 -33.48 32.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 91' ' ' ASN . 78.8 m-20 -72.0 -19.79 61.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.74 -46.18 72.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -62.0 -35.74 79.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.547 ' HG2' ' CE2' ' A' ' 59' ' ' TYR . 1.2 tp10 -71.56 -42.65 67.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.576 ' HG ' ' CZ ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -62.8 -32.95 74.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.3 mttp -51.74 -29.05 17.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.5 t -85.58 -38.15 18.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.979 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.47 HD12 ' CG1' ' A' ' 48' ' ' VAL . 2.8 tp . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.501 ' CB ' ' CD ' ' A' ' 67' ' ' GLN . 2.2 mt -70.21 -13.1 62.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.0 mtm-85 -105.11 49.33 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.254 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.508 ' O ' ' CB ' ' A' ' 92' ' ' ALA . 12.2 p -168.4 120.57 0.82 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.985 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.42 ' CG1' ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -116.14 125.8 73.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.557 ' CZ ' ' OE1' ' A' ' 100' ' ' GLU . 30.7 t80 -79.19 129.13 34.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.469 HG13 ' CD1' ' A' ' 23' ' ' ILE . 2.1 t -116.45 133.0 64.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -146.16 -174.83 18.67 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 50.4 t30 59.84 29.42 18.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 0.748 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.475 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.6 mt -101.52 141.4 22.52 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.01 -162.56 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.495 1.787 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -93.92 -32.44 13.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 111.033 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.32 -9.59 48.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.272 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.573 ' HB2' ' CE2' ' A' ' 82' ' ' PHE . . . -100.8 91.71 4.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.4 p -90.11 174.15 7.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.364 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.46 ' HG3' ' CD2' ' A' ' 47' ' ' LEU . 20.5 mt-10 -57.84 -31.07 66.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.281 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.45 -33.63 75.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -83.87 -44.68 14.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.487 ' HB3' ' CE2' ' A' ' 45' ' ' PHE . 17.6 mt -58.25 -49.04 78.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.46 ' CD ' HG13 ' A' ' 42' ' ' VAL . 9.4 tttt -58.05 -37.95 75.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.89 -35.8 80.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.571 HD12 ' CE2' ' A' ' 82' ' ' PHE . 9.8 mt -68.12 -48.38 74.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.21 -29.5 67.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 111.036 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.435 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 76.9 p -63.0 -37.14 85.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.995 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.405 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 13.1 tp10 -71.09 -12.65 61.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.455 ' CG1' ' HA ' ' A' ' 73' ' ' ALA . 2.1 t -104.43 7.11 10.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.435 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 135.0 -177.32 19.41 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.491 1.12 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 122.89 7.49 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.446 1.761 . . . . 0.0 110.977 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.498 ' CG2' ' SG ' ' A' ' 62' ' ' CYS . 12.9 p -101.21 122.52 53.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.484 ' CG2' ' HB2' ' A' ' 65' ' ' GLN . 46.5 t -67.86 -72.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.99 164.19 30.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.984 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.591 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.6 OUTLIER -151.55 114.28 4.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 111.022 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -124.66 133.19 53.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.577 HD11 ' CE2' ' A' ' 49' ' ' TYR . 4.4 pp -120.27 177.74 4.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.565 HG22 ' CD2' ' A' ' 59' ' ' TYR . 2.7 m -86.41 121.62 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.577 ' CE2' HD11 ' A' ' 47' ' ' LEU . 1.2 m-85 -123.28 119.76 31.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 54' ' ' GLY . 1.9 m-20 -74.1 109.24 7.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.4 mtt85 -72.46 -29.14 63.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -70.51 -32.14 69.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.345 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.2 m -107.54 -4.54 18.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.419 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 54.33 16.92 7.27 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.514 1.133 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -118.12 146.22 38.75 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.749 . . . . 0.0 109.361 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.576 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 18.3 Cg_endo -75.0 137.39 21.66 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.473 1.775 . . . . 0.0 110.94 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.504 ' HB3' ' CE1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -52.54 -58.16 7.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 141.81 -17.65 2.59 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.546 1.154 . . . . 0.0 111.038 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.565 ' CD2' HG22 ' A' ' 48' ' ' VAL . 33.4 p90 -125.68 156.68 38.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 0.736 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.482 ' HA3' ' CB ' ' A' ' 47' ' ' LEU . . . -165.94 -170.28 30.66 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.512 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 81.2 m-85 -132.37 138.24 47.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 0.755 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.591 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 13.0 t -116.15 122.6 45.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 108.337 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.424 ' HA ' ' HA ' ' A' ' 17' ' ' SER . 3.4 tm-20 -99.47 126.11 45.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.487 ' CD1' HG22 ' A' ' 69' ' ' THR . 3.3 m-85 -96.51 -172.54 2.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.484 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -112.81 -18.7 12.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.266 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.24 134.07 53.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.501 ' CD ' ' CB ' ' A' ' 15' ' ' LEU . 3.9 mt-30 -64.28 -37.52 87.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -68.95 -37.39 78.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.487 HG22 ' CD1' ' A' ' 64' ' ' TYR . 97.4 m -66.66 -40.52 88.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.421 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.72 -40.62 84.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.5 mt -69.97 -41.87 73.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.456 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 6.3 t -64.83 -38.02 89.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.975 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.455 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . . . -66.49 -38.86 88.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.529 ' O ' ' CB ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -63.13 -47.28 83.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 111.001 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -77.8 -25.19 48.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 72' ' ' SER . 46.5 m-20 -74.91 -35.64 62.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 78' ' ' ASN . 1.4 mt -104.06 -91.86 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.529 ' CB ' ' O ' ' A' ' 74' ' ' MET . 1.4 t-20 35.8 86.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.35 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 83.21 34.74 19.87 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.54 120.63 27.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 110.332 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -58.53 143.1 47.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.573 ' CE2' ' HB2' ' A' ' 27' ' ' ALA . 4.5 t80 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.46 HD22 ' CG2' ' A' ' 89' ' ' VAL . 0.2 OUTLIER -97.31 86.9 4.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -70.45 97.42 1.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.46 ' CG2' HD22 ' A' ' 87' ' ' LEU . 42.5 t -105.05 122.5 58.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.442 ' N ' ' OD1' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -140.17 137.28 34.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 90' ' ' ASP . 1.4 t30 -39.98 126.04 2.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -66.95 -10.42 49.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -91.62 25.28 2.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.87 149.59 30.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.995 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.1 -35.82 82.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.0 -33.89 33.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 20.4 m-20 -72.33 -20.11 61.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 7.2 ttpt -64.34 -40.08 95.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.95 -35.5 80.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.261 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.557 ' OE1' ' CZ ' ' A' ' 19' ' ' PHE . 3.5 mt-10 -71.69 -43.34 66.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.512 ' HG ' ' CZ ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -63.25 -32.47 73.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.21 -28.34 40.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.0 m -85.4 -36.21 20.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.978 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.464 ' CD1' HG12 ' A' ' 48' ' ' VAL . 2.8 tp . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.451 ' CD1' ' NE2' ' A' ' 67' ' ' GLN . 10.2 mt -78.3 -10.89 59.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.502 ' O ' ' CB ' ' A' ' 17' ' ' SER . 5.9 ttm180 -98.39 79.47 2.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.323 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' A' ' 92' ' ' ALA . 1.6 m 159.76 124.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.022 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.446 ' CG1' ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -117.08 124.93 73.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.596 ' CD1' ' OD2' ' A' ' 90' ' ' ASP . 2.1 t80 -78.62 129.87 35.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.471 HG12 ' CD1' ' A' ' 23' ' ' ILE . 5.1 t -114.09 132.68 62.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -132.68 -177.25 14.81 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.464 1.102 . . . . 0.0 110.983 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 60.13 26.88 16.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 0.749 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.471 ' CD1' HG12 ' A' ' 20' ' ' VAL . 1.9 mt -99.09 114.39 65.48 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 178.5 7.17 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.541 1.811 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -73.41 -3.68 28.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.76 -9.86 42.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -114.97 96.39 5.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.9 p -90.57 174.43 7.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.417 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.461 ' HG3' ' CD1' ' A' ' 47' ' ' LEU . 47.8 mt-10 -57.85 -30.5 65.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -33.49 75.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 110.302 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -86.85 -45.71 10.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.319 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.466 ' HA ' ' CD1' ' A' ' 35' ' ' ILE . 19.2 mt -58.15 -49.36 77.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.86 -37.86 74.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.4 ' O ' ' OG ' ' A' ' 37' ' ' SER . 0.5 OUTLIER -65.21 -37.37 87.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.275 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.509 HG12 ' CE2' ' A' ' 82' ' ' PHE . 7.2 mt -68.26 -47.69 76.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.303 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.58 ' CD1' ' OH ' ' A' ' 64' ' ' TYR . 0.3 OUTLIER -68.79 -28.21 66.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.153 . . . . 0.0 111.011 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.466 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 55.6 p -62.33 -36.12 81.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.985 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 9.3 tp10 -71.23 -13.12 61.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 110.304 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.472 ' CG1' ' HA ' ' A' ' 73' ' ' ALA . 1.5 t -105.0 7.32 10.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.466 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 133.83 -178.2 18.5 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.507 1.129 . . . . 0.0 110.961 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.42 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 18.3 Cg_endo -75.04 130.69 13.47 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.457 1.767 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.458 ' CG1' ' SG ' ' A' ' 62' ' ' CYS . 6.1 t -104.15 130.72 54.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.492 ' CG1' ' OE2' ' A' ' 63' ' ' GLU . 77.4 t -81.53 -75.99 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.453 ' N ' ' OE1' ' A' ' 63' ' ' GLU . 0.1 OUTLIER -132.62 168.94 17.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.986 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.595 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.7 OUTLIER -162.26 114.19 1.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.8 137.62 50.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.326 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.461 ' CD1' ' HG3' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -116.56 176.2 5.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.569 HG21 ' CD1' ' A' ' 59' ' ' TYR . 2.5 m -86.37 121.8 37.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.333 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 1.3 m-85 -123.84 120.02 31.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 54' ' ' GLY . 17.2 m-20 -74.14 109.4 7.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.7 mtp85 -72.7 -29.97 63.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.137 . . . . 0.0 110.361 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.86 -28.68 64.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.324 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.9 p -111.04 -3.17 15.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 110.392 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 51.57 18.82 4.06 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.99 145.88 37.81 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.513 0.773 . . . . 0.0 109.248 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . 18.3 Cg_endo -75.04 137.56 21.79 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.524 1.802 . . . . 0.0 111.035 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.487 ' CB ' HG23 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -54.41 -58.17 8.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 142.32 -24.43 2.36 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.569 ' CD1' HG21 ' A' ' 48' ' ' VAL . 52.7 p90 -120.47 156.89 30.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 0.747 . . . . 0.0 111.01 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.416 ' CA ' ' HA ' ' A' ' 47' ' ' LEU . . . -159.19 -169.54 22.65 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.521 1.138 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.576 ' CE2' ' HG ' ' A' ' 101' ' ' LEU . 76.0 m-85 -132.4 137.59 47.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 0.788 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.595 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 19.4 t -113.23 117.91 33.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.154 . . . . 0.0 108.259 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.492 ' OE2' ' CG1' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -98.59 132.04 44.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.335 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.58 ' OH ' ' CD1' ' A' ' 36' ' ' PHE . 12.4 m-85 -107.14 -177.74 3.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 111.047 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.488 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -99.85 -12.95 19.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.338 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -135.83 130.58 34.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.451 ' NE2' ' CD1' ' A' ' 15' ' ' LEU . 8.1 tt0 -60.53 -40.7 92.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.273 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -59.83 -38.09 81.05 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 93.2 m -66.86 -43.45 83.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 110.427 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.78 -39.37 90.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.412 ' HG ' ' N ' ' A' ' 72' ' ' SER . 0.1 OUTLIER -68.22 -48.07 66.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.445 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 3.8 t -59.68 -37.28 78.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.977 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.472 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . . . -66.14 -38.35 87.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.505 ' O ' ' CB ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -62.85 -47.14 84.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 111.02 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 23.8 ttt-85 -77.66 -25.72 49.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 72' ' ' SER . 46.8 m-20 -77.22 -31.76 55.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 78' ' ' ASN . 2.7 mt -106.45 -92.19 0.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 74' ' ' MET . 1.6 t-20 37.72 83.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.18 38.52 12.88 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.474 1.109 . . . . 0.0 111.039 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.43 ' CB ' HD21 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -84.89 121.04 27.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 0.753 . . . . 0.0 110.304 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.56 136.13 57.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 110.256 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.509 ' CE2' HG12 ' A' ' 35' ' ' ILE . 14.8 t80 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 110.985 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.455 ' CD2' HG12 ' A' ' 23' ' ' ILE . 8.5 mt -93.79 93.59 8.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.96 101.46 0.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.572 1.17 . . . . 0.0 110.356 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 4.4 t -106.31 126.13 61.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.596 ' OD2' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -138.4 155.38 48.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.451 ' O ' ' ND2' ' A' ' 97' ' ' ASN . 0.1 OUTLIER -63.81 128.91 37.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -61.23 -14.91 29.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -89.7 20.98 3.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.5 145.14 33.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.004 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 96' ' ' LYS . 10.2 pt-20 -59.85 -36.63 77.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.344 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.4 ' N ' ' HG3' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -79.64 -33.78 41.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.097 . . . . 0.0 109.28 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 91' ' ' ASN . 51.7 m-20 -72.37 -19.45 61.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.254 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -63.72 -45.89 87.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -61.43 -37.01 81.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.431 ' OE1' ' CE1' ' A' ' 59' ' ' TYR . 11.6 mm-40 -71.72 -42.15 67.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.576 ' HG ' ' CE2' ' A' ' 61' ' ' PHE . 0.4 OUTLIER -62.28 -32.83 73.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.35 -29.61 24.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.63 -29.63 23.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.017 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.509 ' CD2' ' CG1' ' A' ' 48' ' ' VAL . 3.9 mm? . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.46 ' CB ' ' CD ' ' A' ' 67' ' ' GLN . 0.4 OUTLIER -69.85 -14.47 62.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 17' ' ' SER . 26.1 mtp180 -95.41 -67.25 0.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.515 ' O ' ' CB ' ' A' ' 92' ' ' ALA . 60.8 m -37.0 118.54 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.056 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.463 ' CG1' ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -111.72 125.68 69.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.415 ' HB3' ' ND2' ' A' ' 97' ' ' ASN . 3.0 t80 -78.06 129.81 35.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.472 ' CG2' HD13 ' A' ' 23' ' ' ILE . 0.6 OUTLIER -116.2 133.41 62.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -157.86 176.33 34.95 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.547 1.155 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.44 ' O ' ' ND2' ' A' ' 22' ' ' ASN . 4.8 t30 72.82 22.67 3.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 0.776 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.483 ' CD1' ' CD2' ' A' ' 32' ' ' LEU . 2.0 mt -101.88 140.96 21.64 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.4 Cg_endo -74.98 -162.32 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.462 1.769 . . . . 0.0 111.018 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -96.01 -5.73 40.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.16 -9.63 44.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.465 ' HB2' ' CG2' ' A' ' 23' ' ' ILE . . . -110.3 96.1 6.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.2 p -90.38 173.75 7.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 110.401 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.44 ' OE2' ' CA ' ' A' ' 46' ' ' ARG . 8.0 mt-10 -58.11 -31.3 67.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.133 . . . . 0.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.68 -33.86 74.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.276 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.451 ' HB3' ' CZ ' ' A' ' 82' ' ' PHE . 5.9 mt-30 -83.89 -44.79 13.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.483 ' CD2' ' CD1' ' A' ' 23' ' ' ILE . 5.8 mp -58.04 -49.15 77.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.495 ' CG ' ' CG2' ' A' ' 42' ' ' VAL . 1.6 ttpt -56.4 -38.27 71.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.94 -37.85 87.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.564 HD11 ' CD2' ' A' ' 82' ' ' PHE . 7.1 mt -68.02 -47.69 77.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -68.28 -27.88 66.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.535 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -61.76 -33.03 73.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.06 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -67.93 -12.16 60.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.486 HG11 ' CA ' ' A' ' 73' ' ' ALA . 37.1 t -103.82 -10.98 9.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.535 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 149.66 176.55 22.93 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.448 1.093 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 118.3 5.21 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.783 . . . . 0.0 110.948 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.495 ' CG2' ' CG ' ' A' ' 33' ' ' LYS . 33.5 m -85.67 122.35 38.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.482 ' CG2' ' CD ' ' A' ' 65' ' ' GLN . 3.0 t -63.26 -68.83 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 m -135.77 166.24 23.75 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.443 1.089 . . . . 0.0 110.022 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.451 ' CZ ' ' HB2' ' A' ' 62' ' ' CYS . 0.7 OUTLIER -161.95 112.95 1.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 110.952 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.44 ' CA ' ' OE2' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -132.48 128.18 36.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.287 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.602 ' CD1' ' CD2' ' A' ' 49' ' ' TYR . 0.5 OUTLIER -108.5 177.49 4.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.267 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.573 HG11 ' CE1' ' A' ' 59' ' ' TYR . 3.4 m -88.44 121.62 38.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.602 ' CD2' ' CD1' ' A' ' 47' ' ' LEU . 1.0 OUTLIER -120.58 119.63 33.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.953 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 54' ' ' GLY . 1.5 m-20 -75.77 109.75 9.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.12 -27.94 62.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.122 . . . . 0.0 110.318 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.75 -32.03 70.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.475 HG21 ' CD ' ' A' ' 55' ' ' LYS . 3.2 m -109.27 -5.4 15.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.087 . . . . 0.0 110.415 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 56.17 14.5 8.53 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.475 ' CD ' HG21 ' A' ' 53' ' ' THR . 3.2 mttp -118.81 145.52 37.96 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.495 0.762 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.577 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 18.3 Cg_endo -75.01 137.87 22.26 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.46 1.768 . . . . 0.0 110.976 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.464 ' HB2' ' CG2' ' A' ' 48' ' ' VAL . 0.1 OUTLIER -52.04 -56.12 16.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.252 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 142.35 -13.84 2.52 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.127 . . . . 0.0 110.969 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.595 ' CE2' ' OE2' ' A' ' 100' ' ' GLU . 1.6 p90 -125.56 159.37 32.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.761 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.468 ' HA3' ' CB ' ' A' ' 47' ' ' LEU . . . -163.45 -170.25 28.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.573 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 92.5 m-85 -132.34 137.59 47.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 110.994 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.451 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 34.9 t -121.2 122.11 39.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 108.319 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -100.52 123.53 44.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -91.14 -175.29 4.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.482 ' CD ' ' CG2' ' A' ' 43' ' ' VAL . 0.9 OUTLIER -106.74 -15.84 14.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.44 134.27 43.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.46 ' CD ' ' CB ' ' A' ' 15' ' ' LEU . 3.0 mt-30 -58.89 -46.57 87.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.28 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -59.91 -37.03 78.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.342 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 85.2 m -66.5 -42.24 87.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.352 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.91 -40.17 83.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.7 mt -69.27 -40.55 77.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.427 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 93.6 p -64.23 -38.59 91.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.011 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.486 ' CA ' HG11 ' A' ' 39' ' ' VAL . . . -67.05 -38.5 85.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.463 ' HG3' ' CG1' ' A' ' 18' ' ' VAL . 0.5 OUTLIER -62.3 -48.03 81.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.59 -26.24 50.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 72' ' ' SER . 20.4 m-20 -78.22 -20.67 51.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.63 ' O ' ' C ' ' A' ' 78' ' ' ASN . 27.2 mt -113.54 -91.95 0.49 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.63 ' C ' ' O ' ' A' ' 77' ' ' LEU . 22.1 p-10 19.71 87.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 97.11 22.57 17.01 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.516 1.135 . . . . 0.0 111.041 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -84.3 119.78 25.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 0.724 . . . . 0.0 110.326 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -64.46 140.49 58.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.34 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.564 ' CD2' HD11 ' A' ' 35' ' ' ILE . 30.4 t80 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.49 96.95 7.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -73.5 117.2 14.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 62.1 t -125.53 122.24 62.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.425 1.078 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.71 154.07 46.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.439 ' O ' ' ND2' ' A' ' 97' ' ' ASN . 1.0 OUTLIER -47.61 121.28 3.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.33 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -63.81 -12.12 33.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -90.93 24.06 2.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.428 ' HB2' ' ND2' ' A' ' 97' ' ' ASN . 2.9 m -79.78 153.77 28.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 109.993 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -67.59 -33.35 74.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.327 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.19 -33.81 32.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 91' ' ' ASN . 88.4 m-20 -72.31 -19.85 61.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -64.25 -37.35 87.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.424 ' N ' ' HG3' ' A' ' 98' ' ' LYS . 8.8 mt-10 -63.36 -35.25 79.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.253 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.595 ' OE2' ' CE2' ' A' ' 59' ' ' TYR . 4.2 mm-40 -71.71 -43.25 66.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.573 ' HG ' ' CZ ' ' A' ' 61' ' ' PHE . 0.4 OUTLIER -62.9 -33.17 74.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -50.6 -28.91 9.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.55 -33.07 21.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.002 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.465 ' CD1' HG13 ' A' ' 48' ' ' VAL . 2.1 tp . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.157 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.7 mp -69.58 -13.31 62.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.483 ' O ' ' CG ' ' A' ' 63' ' ' GLU . 13.5 mtm-85 -106.09 40.07 1.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.447 ' HB2' ' CB ' ' A' ' 92' ' ' ALA . 1.2 p -154.27 130.91 10.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.0 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.489 ' CG1' ' HB3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -125.57 125.62 68.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.417 ' HB3' ' ND2' ' A' ' 97' ' ' ASN . 2.4 t80 -78.43 131.36 36.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 111.038 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.487 HG21 ' CZ ' ' A' ' 36' ' ' PHE . 2.1 t -119.14 137.85 51.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -146.02 -177.66 20.87 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.48 1.113 . . . . 0.0 111.02 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.5 t30 61.6 24.43 14.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 109.296 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.4 mt -95.45 114.45 63.92 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 178.73 6.88 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.515 1.797 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -74.9 -1.84 24.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 111.026 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.59 -9.97 42.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.312 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -124.96 100.26 6.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.4 p -91.85 174.33 7.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.1 . . . . 0.0 110.401 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.475 ' HG3' ' CD1' ' A' ' 47' ' ' LEU . 1.7 mt-10 -57.79 -30.36 65.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.04 -33.64 73.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.333 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -89.4 -44.86 9.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.422 ' N ' HD13 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -57.13 -49.0 77.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.44 ' HG3' ' CG1' ' A' ' 42' ' ' VAL . 0.7 OUTLIER -61.48 -37.75 84.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -65.36 -38.95 91.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.566 HD12 ' CE2' ' A' ' 82' ' ' PHE . 7.6 mt -68.1 -46.74 80.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.579 ' CD1' HD21 ' A' ' 77' ' ' LEU . 14.7 m-85 -67.76 -29.13 68.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 53.9 p -63.21 -33.16 74.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.005 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.41 -12.67 61.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.315 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.498 ' CG1' ' HA ' ' A' ' 73' ' ' ALA . 2.2 t -103.92 7.08 10.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.252 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.436 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 137.8 -178.22 19.31 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 119.67 5.73 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.484 1.781 . . . . 0.0 111.016 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.44 ' CG1' ' HG3' ' A' ' 33' ' ' LYS . 71.3 t -88.18 122.38 39.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.8 t -71.74 -77.55 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.33 176.66 8.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.962 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.568 ' CE1' HD22 ' A' ' 47' ' ' LEU . 0.8 OUTLIER -171.13 120.92 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -138.1 135.44 35.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.28 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.568 HD22 ' CE1' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -113.29 176.89 4.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.262 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.571 HG23 ' CE2' ' A' ' 59' ' ' TYR . 3.5 m -90.7 121.44 41.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.527 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 1.2 m-85 -123.81 119.82 30.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 54' ' ' GLY . 13.3 m-20 -72.08 109.21 5.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.464 ' CZ ' ' HB2' ' A' ' 51' ' ' ARG . 28.7 mtm105 -73.05 -29.68 63.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.257 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -70.51 -30.84 67.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.328 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.4 p -109.56 -3.15 17.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.418 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 50.72 19.69 3.48 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -118.1 145.13 36.22 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.566 0.804 . . . . 0.0 109.307 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . 18.3 Cg_endo -75.0 137.63 21.98 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.512 1.796 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -57.91 -58.25 9.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 138.9 -15.73 3.29 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.506 1.129 . . . . 0.0 111.028 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.571 ' CE2' HG23 ' A' ' 48' ' ' VAL . 33.0 p90 -126.01 156.73 39.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 0.736 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -164.2 -174.16 33.67 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.588 ' CE2' ' HG ' ' A' ' 101' ' ' LEU . 30.2 m-85 -132.35 135.6 46.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 0.768 . . . . 0.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.539 ' HB2' ' CE1' ' A' ' 45' ' ' PHE . 12.2 t -106.94 152.7 23.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 108.304 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.483 ' CG ' ' O ' ' A' ' 16' ' ' ARG . 0.8 OUTLIER -119.73 123.35 43.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.262 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.5 ' OH ' ' CB ' ' A' ' 73' ' ' ALA . 4.0 m-85 -102.26 -173.78 2.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.0 tm0? -113.07 -23.39 10.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.328 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.433 ' HB2' ' CB ' ' A' ' 69' ' ' THR . 0.2 OUTLIER -124.54 134.32 53.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -61.35 -46.27 90.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -62.54 -37.94 88.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.433 ' CB ' ' HB2' ' A' ' 66' ' ' ASP . 92.2 m -66.55 -42.2 87.51 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.115 . . . . 0.0 110.39 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.408 ' O ' ' HB3' ' A' ' 74' ' ' MET . . . -69.22 -39.32 78.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.493 ' O ' ' HG2' ' A' ' 74' ' ' MET . 0.5 OUTLIER -69.89 -36.97 75.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.456 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 6.9 m -71.61 -41.76 68.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.014 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.5 ' CB ' ' OH ' ' A' ' 64' ' ' TYR . . . -68.33 -46.61 69.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.525 ' O ' ' CB ' ' A' ' 78' ' ' ASN . 5.3 ptt? -67.07 -41.08 87.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.958 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.492 ' N ' ' CG ' ' A' ' 74' ' ' MET . 23.1 ttt85 -73.73 -31.2 63.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.259 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.456 ' CB ' ' O ' ' A' ' 72' ' ' SER . 41.5 m-20 -78.27 -36.74 46.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.579 HD21 ' CD1' ' A' ' 36' ' ' PHE . 8.5 mp -86.47 -25.91 24.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.525 ' CB ' ' O ' ' A' ' 74' ' ' MET . 1.7 t30 -57.27 88.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . 109.02 4.17 31.38 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.526 1.141 . . . . 0.0 110.957 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.0 125.41 30.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 0.0 110.249 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.28 140.27 40.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.566 ' CE2' HD12 ' A' ' 35' ' ' ILE . 39.1 t80 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.466 HD21 ' CG2' ' A' ' 89' ' ' VAL . 0.1 OUTLIER -110.13 98.2 7.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.251 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.34 89.67 7.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.282 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.466 ' CG2' HD21 ' A' ' 87' ' ' LEU . 2.0 t -106.39 124.25 61.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -140.3 140.55 35.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.439 ' O ' ' ND2' ' A' ' 97' ' ' ASN . 1.8 t30 -38.71 126.96 1.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.447 ' CB ' ' HB2' ' A' ' 17' ' ' SER . . . -68.99 -8.52 45.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.244 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -91.01 23.34 3.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.2 t -79.77 148.02 31.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.009 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -65.4 -32.61 74.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.142 . . . . 0.0 110.281 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 6.4 ptmt -81.12 -33.56 33.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 91' ' ' ASN . 83.1 m-20 -72.06 -19.59 61.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.457 ' HE2' ' CA ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -64.3 -40.45 95.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.361 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.457 ' CA ' ' HE2' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -61.55 -43.59 98.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.305 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -71.66 -35.94 70.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.258 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.588 ' HG ' ' CE2' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -61.9 -36.34 81.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.94 -29.96 0.92 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.81 -37.93 18.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.112 . . . . 0.0 109.972 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.529 ' CD2' ' CG1' ' A' ' 48' ' ' VAL . 1.6 mm? . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.473 ' CB ' ' NE2' ' A' ' 67' ' ' GLN . 1.0 OUTLIER -68.33 -17.91 64.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.485 ' O ' ' O ' ' A' ' 17' ' ' SER . 1.0 OUTLIER -99.35 -159.74 0.76 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.268 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.529 ' O ' ' CB ' ' A' ' 92' ' ' ALA . 1.1 p 56.1 119.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.968 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.447 ' CG1' ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -123.8 124.94 70.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.585 ' CD1' ' OD2' ' A' ' 90' ' ' ASP . 5.0 t80 -73.65 129.41 37.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.557 HG22 ' CZ ' ' A' ' 36' ' ' PHE . 2.2 t -119.94 132.34 69.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -132.23 -173.41 13.31 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.533 1.146 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 86' ' ' ALA . 19.3 t-20 62.73 22.08 13.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 0.779 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.453 ' CG2' HD11 ' A' ' 32' ' ' LEU . 2.3 mt -96.92 114.36 64.48 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 178.4 7.32 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.457 1.767 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.56 ' CE2' ' HD2' ' A' ' 56' ' ' PRO . 3.2 m-85 -72.85 -9.66 58.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.7 -9.67 42.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.331 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.448 ' HB2' ' CG2' ' A' ' 23' ' ' ILE . . . -108.2 96.31 6.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.424 ' O ' ' CD2' ' A' ' 32' ' ' LEU . 7.3 p -90.6 174.79 7.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.432 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.461 ' HG3' ' CD1' ' A' ' 47' ' ' LEU . 45.5 mt-10 -57.71 -29.46 64.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.264 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.11 -33.47 72.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -91.06 -45.13 8.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.453 HD11 ' CG2' ' A' ' 23' ' ' ILE . 0.2 OUTLIER -57.27 -49.16 76.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.469 ' CG ' HG11 ' A' ' 42' ' ' VAL . 6.2 ttpt -61.58 -37.81 85.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.4 ' O ' ' OG ' ' A' ' 37' ' ' SER . 0.2 OUTLIER -65.93 -38.94 89.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.23 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.573 HG12 ' CE2' ' A' ' 82' ' ' PHE . 7.9 mt -68.36 -46.87 79.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.557 ' CZ ' HG22 ' A' ' 20' ' ' VAL . 2.0 m-85 -67.98 -29.36 68.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.441 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 59.9 p -63.6 -34.57 78.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 109.988 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.412 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 9.1 tp10 -71.14 -12.62 61.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.487 ' CG1' ' CB ' ' A' ' 76' ' ' ASN . 0.3 OUTLIER -104.24 7.1 10.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.441 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 140.01 176.45 15.03 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.469 1.106 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 109.74 2.99 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.476 1.777 . . . . 0.0 111.008 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.522 ' CG2' ' SG ' ' A' ' 62' ' ' CYS . 14.5 p -87.94 137.91 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.456 ' CG2' ' HG3' ' A' ' 65' ' ' GLN . 2.7 t -89.97 -80.98 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.42 ' N ' ' CG1' ' A' ' 43' ' ' VAL . 0.4 OUTLIER -124.74 163.71 21.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.988 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.601 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.6 OUTLIER -153.03 115.7 4.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -130.38 130.99 45.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.285 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.473 ' CD2' ' HA3' ' A' ' 60' ' ' GLY . 0.2 OUTLIER -110.75 177.37 4.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.568 HG23 ' CD2' ' A' ' 59' ' ' TYR . 3.9 m -89.36 121.65 39.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.529 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 0.8 OUTLIER -126.74 118.91 25.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 54' ' ' GLY . 14.0 m-20 -71.01 109.32 5.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.7 mtm180 -73.05 -30.52 63.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -71.6 -32.54 68.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 110.294 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.5 m -106.03 -3.87 21.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.393 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 50.24 20.53 3.52 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.457 1.098 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.6 mmtt -117.89 145.33 36.43 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.56 ' HD2' ' CE2' ' A' ' 25' ' ' TYR . 18.4 Cg_endo -74.96 140.88 26.09 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.465 1.771 . . . . 0.0 111.017 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.539 ' HB3' ' CE1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -62.68 -56.15 20.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 138.57 -20.04 3.14 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.519 1.137 . . . . 0.0 111.033 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 19' ' ' PHE . 36.8 p90 -124.27 156.88 36.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 0.798 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.473 ' HA3' ' CD2' ' A' ' 47' ' ' LEU . . . -157.74 -172.65 25.18 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.402 ' CZ ' ' HD2' ' A' ' 19' ' ' PHE . 92.5 m-85 -132.57 137.71 47.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 0.775 . . . . 0.0 111.002 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.601 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 4.9 t -114.07 120.32 40.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 108.297 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -96.42 123.41 40.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.273 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -101.2 179.48 4.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.477 ' O ' ' NH2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -108.09 -9.38 15.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.279 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.446 ' HB2' ' CB ' ' A' ' 69' ' ' THR . 0.0 OUTLIER -125.95 128.87 48.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.473 ' NE2' ' CB ' ' A' ' 15' ' ' LEU . 15.4 tt0 -64.63 -46.84 80.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -61.17 -37.37 82.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.446 ' CB ' ' HB2' ' A' ' 66' ' ' ASP . 84.8 m -66.42 -39.15 88.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.382 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.31 -40.33 89.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.414 ' HG ' ' N ' ' A' ' 72' ' ' SER . 0.1 OUTLIER -70.37 -49.0 53.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.455 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 3.8 m -60.1 -38.44 82.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.995 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.473 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . . . -66.64 -37.95 85.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.634 ' O ' ' HB3' ' A' ' 78' ' ' ASN . 0.2 OUTLIER -62.11 -47.95 82.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.968 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -77.63 -26.85 50.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.327 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.487 ' CB ' ' CG1' ' A' ' 39' ' ' VAL . 10.7 m-20 -68.48 -35.26 77.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 79' ' ' GLY . 4.0 mt -103.87 -75.66 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.634 ' HB3' ' O ' ' A' ' 74' ' ' MET . 1.0 OUTLIER 36.8 33.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.163 . . . . 0.0 109.293 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . 117.0 49.82 0.41 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.464 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -81.7 125.6 30.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.484 0.755 . . . . 0.0 110.291 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.92 134.27 56.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.573 ' CE2' HG12 ' A' ' 35' ' ' ILE . 15.8 t80 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.431 ' O ' ' ND2' ' A' ' 22' ' ' ASN . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.446 ' CD1' HG12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -94.46 95.39 8.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.5 130.75 48.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.308 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.436 ' CG2' ' HB2' ' A' ' 77' ' ' LEU . 6.0 t -125.85 133.56 68.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.585 ' OD2' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -139.32 155.88 47.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.456 ' N ' ' SD ' ' A' ' 74' ' ' MET . 0.1 OUTLIER -78.48 125.02 28.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -59.06 -14.78 10.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -86.02 18.46 3.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.352 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.42 149.6 31.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 110.004 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -68.13 -36.54 79.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.281 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.2 pttt -80.57 -29.2 37.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -72.24 -19.84 61.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.31 -29.87 70.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.73 -42.24 74.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.438 ' OE2' ' CE2' ' A' ' 59' ' ' TYR . 6.6 mm-40 -71.52 -44.47 64.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.3 -32.97 74.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -54.52 -28.66 46.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.75 -36.22 20.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.008 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.468 HD12 ' CG1' ' A' ' 48' ' ' VAL . 2.9 tp . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.547 ' CB ' ' NE2' ' A' ' 67' ' ' GLN . 0.2 OUTLIER -69.28 -16.87 63.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 17' ' ' SER . 35.7 mtm-85 -87.49 -63.91 1.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.52 ' O ' ' CB ' ' A' ' 92' ' ' ALA . 36.6 m -37.4 117.3 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 0.0 109.998 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.447 ' CG1' ' HG3' ' A' ' 74' ' ' MET . 0.4 OUTLIER -111.49 125.73 68.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.53 ' CD1' ' OD2' ' A' ' 90' ' ' ASP . 4.1 t80 -80.05 129.45 34.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.462 ' CG1' ' CD1' ' A' ' 23' ' ' ILE . 12.9 t -115.7 132.99 63.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.115 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.78 -176.74 14.52 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 61.18 24.4 14.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 0.754 . . . . 0.0 109.332 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.462 ' CD1' ' CG1' ' A' ' 20' ' ' VAL . 3.4 mt -95.22 114.44 63.77 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -177.62 3.6 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.533 1.807 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.577 ' CE2' ' HD2' ' A' ' 56' ' ' PRO . 4.8 m-85 -77.57 -6.91 55.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 111.062 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -91.61 -9.91 42.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 110.313 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -113.12 95.62 5.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.475 ' O ' ' CD2' ' A' ' 32' ' ' LEU . 6.8 p -90.76 174.25 7.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 110.388 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.451 ' HG3' ' CD1' ' A' ' 47' ' ' LEU . 26.1 mt-10 -58.0 -30.05 65.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.65 -33.57 73.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.267 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -89.71 -45.19 9.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.345 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.475 ' CD2' ' O ' ' A' ' 28' ' ' THR . 0.2 OUTLIER -57.18 -49.11 76.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.25 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.471 ' HG3' ' CG1' ' A' ' 42' ' ' VAL . 0.5 OUTLIER -61.03 -37.97 84.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -65.98 -37.7 86.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.566 HD13 ' CD2' ' A' ' 82' ' ' PHE . 24.0 mt -68.17 -47.39 78.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.467 ' HB3' ' CG2' ' A' ' 42' ' ' VAL . 0.2 OUTLIER -68.43 -29.1 67.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 57.8 p -62.33 -41.98 99.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.994 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -66.01 -12.09 52.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.469 HG21 ' CD1' ' A' ' 77' ' ' LEU . 6.1 t -103.93 7.01 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 137.49 -175.84 20.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.544 1.152 . . . . 0.0 110.965 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 132.24 15.18 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.485 1.781 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.471 ' CG1' ' HG3' ' A' ' 33' ' ' LYS . 31.1 t -106.09 139.43 27.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.42 ' N ' HG13 ' A' ' 42' ' ' VAL . 3.1 t -97.19 -79.88 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.408 ' CB ' ' HG3' ' A' ' 63' ' ' GLU . 0.6 OUTLIER -125.39 171.29 10.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.996 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.55 ' CE2' ' HB2' ' A' ' 62' ' ' CYS . 0.7 OUTLIER -167.53 114.6 0.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.964 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -135.08 132.27 37.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.465 ' HA ' ' CA ' ' A' ' 60' ' ' GLY . 0.2 OUTLIER -107.15 177.69 4.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 109.3 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.548 HG22 ' CD2' ' A' ' 59' ' ' TYR . 3.7 m -88.82 121.58 39.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 0.8 OUTLIER -128.48 118.83 23.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.147 . . . . 0.0 110.981 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 54' ' ' GLY . 13.7 m-20 -70.12 109.31 4.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 64.5 mtt180 -72.97 -29.91 63.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -70.88 -32.32 69.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.467 ' OG1' ' CB ' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -111.88 5.77 19.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.402 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 39.49 27.91 0.1 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 53' ' ' THR . 3.7 ptmt -117.83 144.65 34.91 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.577 ' HD2' ' CE2' ' A' ' 25' ' ' TYR . 18.3 Cg_endo -75.01 142.22 27.56 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.511 1.795 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.487 ' CB ' HG21 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -68.04 -55.35 12.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 136.97 -20.48 3.41 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.488 1.118 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.548 ' CD2' HG22 ' A' ' 48' ' ' VAL . 39.4 p90 -125.51 156.88 38.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 0.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.465 ' CA ' ' HA ' ' A' ' 47' ' ' LEU . . . -157.27 -173.34 25.57 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.483 1.115 . . . . 0.0 110.958 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.571 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 61.1 m-85 -132.2 137.69 47.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.55 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 25.5 t -114.96 125.57 53.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 108.312 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.408 ' HG3' ' CB ' ' A' ' 44' ' ' SER . 1.6 pt-20 -98.87 123.31 43.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.569 ' CE1' ' CG2' ' A' ' 69' ' ' THR . 2.3 m-85 -95.04 -168.65 1.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.946 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -115.07 -14.91 11.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -135.13 132.68 38.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.547 ' NE2' ' CB ' ' A' ' 15' ' ' LEU . 0.4 OUTLIER -59.69 -43.2 94.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.279 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.82 -38.04 80.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.569 ' CG2' ' CE1' ' A' ' 64' ' ' TYR . 33.9 m -67.99 -39.38 83.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.416 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.11 -39.38 82.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.342 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.1 mt -70.15 -46.23 65.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.449 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 58.7 m -63.86 -38.0 89.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.994 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.45 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . . . -66.87 -38.39 86.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.607 ' O ' ' HB3' ' A' ' 78' ' ' ASN . 1.7 mtp -62.65 -47.85 81.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.969 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.34 -26.83 52.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.281 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 72' ' ' SER . 18.5 m-20 -68.69 -35.71 77.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.469 ' CD1' HG21 ' A' ' 39' ' ' VAL . 9.2 mp -104.41 -72.33 0.71 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.607 ' HB3' ' O ' ' A' ' 74' ' ' MET . 1.0 OUTLIER 36.79 33.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . 116.97 53.86 0.32 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.83 121.31 26.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 0.748 . . . . 0.0 110.322 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -54.89 137.61 45.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.311 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.566 ' CD2' HD13 ' A' ' 35' ' ' ILE . 7.8 t80 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 111.025 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.38 93.54 7.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -60.54 128.23 35.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.448 HG11 ' CG ' ' A' ' 74' ' ' MET . 3.1 t -125.55 124.62 67.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.53 ' OD2' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -139.7 154.62 47.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.453 ' N ' ' SD ' ' A' ' 74' ' ' MET . 1.0 OUTLIER -61.93 123.93 19.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.248 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -62.33 -13.82 33.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -91.52 24.37 3.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.77 150.55 30.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.025 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -63.38 -36.88 85.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -81.35 -33.82 32.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.426 ' ND2' ' HB3' ' A' ' 19' ' ' PHE . 5.6 m-20 -72.32 -19.85 61.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -36.95 85.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.492 ' O ' ' CG ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -63.98 -37.8 88.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.312 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.461 ' OE2' ' CZ ' ' A' ' 59' ' ' TYR . 6.5 mm-40 -71.61 -42.8 67.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.571 ' HG ' ' CZ ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -62.87 -32.78 74.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.492 ' CG ' ' O ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -50.93 -29.15 11.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.56 -35.1 21.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.003 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.455 ' CD1' HG12 ' A' ' 48' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 71.1 m . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.461 ' HB3' ' CG ' ' A' ' 67' ' ' GLN . 1.1 mt -70.2 -13.38 62.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.0 mtm-85 -103.61 59.91 0.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.476 ' HA ' ' HA ' ' A' ' 63' ' ' GLU . 9.3 m -176.27 138.33 0.32 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.022 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.449 ' CG1' ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -124.47 125.55 70.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.358 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.48 ' CZ ' ' OE1' ' A' ' 100' ' ' GLU . 28.4 t80 -76.56 129.19 36.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.568 HG21 ' CZ ' ' A' ' 36' ' ' PHE . 2.1 t -117.7 133.1 65.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.51 -172.34 12.91 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.2 t30 51.26 36.42 16.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 0.786 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.474 ' CD1' HD21 ' A' ' 32' ' ' LEU . 3.4 mt -95.48 114.47 63.98 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 167.06 27.84 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 110.971 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.6 m-30 -66.64 -8.59 28.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -91.72 -11.72 36.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.258 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -115.97 95.87 5.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.337 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.09 173.77 8.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.428 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.448 ' OE2' ' N ' ' A' ' 47' ' ' LEU . 41.2 mt-10 -58.29 -30.86 66.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.309 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.38 -33.37 75.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.292 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -85.72 -43.68 13.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.474 HD21 ' CD1' ' A' ' 23' ' ' ILE . 11.1 mp -60.59 -49.0 79.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.16 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.407 ' HD2' ' CG1' ' A' ' 42' ' ' VAL . 2.3 ttpp -56.36 -38.15 71.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -65.69 -38.15 88.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 0.0 109.349 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.462 HG22 ' CD2' ' A' ' 77' ' ' LEU . 8.2 mt -68.16 -47.06 80.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.568 ' CE1' HD13 ' A' ' 77' ' ' LEU . 3.8 m-85 -67.94 -29.07 68.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.458 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 54.2 p -62.66 -32.34 73.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 110.013 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.55 -11.16 22.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.332 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.424 HG12 ' N ' ' A' ' 73' ' ' ALA . 60.9 t -102.3 -7.92 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.458 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 149.45 -167.45 29.69 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.467 1.104 . . . . 0.0 111.033 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 136.41 20.25 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.457 1.767 . . . . 0.0 110.953 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.407 ' CG1' ' HD2' ' A' ' 33' ' ' LYS . 71.9 t -106.06 122.3 59.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.477 ' CG2' ' HB2' ' A' ' 65' ' ' GLN . 59.6 t -70.87 -60.63 2.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.59 164.05 32.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.973 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.589 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.4 OUTLIER -143.23 122.22 12.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -132.4 131.66 42.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.6 ' CD1' ' CD2' ' A' ' 49' ' ' TYR . 1.3 pp -122.55 178.38 5.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.564 HG21 ' CZ ' ' A' ' 59' ' ' TYR . 3.3 m -86.33 120.92 36.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.6 ' CD2' ' CD1' ' A' ' 47' ' ' LEU . 0.9 OUTLIER -123.06 119.29 29.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 111.044 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 54' ' ' GLY . 11.9 m-20 -72.62 109.21 6.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -73.71 -29.89 62.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -70.71 -32.42 69.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 110.313 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.459 ' OG1' ' CB ' ' A' ' 50' ' ' ASP . 1.0 OUTLIER -111.89 3.48 17.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.41 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 43.1 24.72 0.31 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.455 1.097 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.404 ' N ' ' C ' ' A' ' 53' ' ' THR . 3.1 mttt -118.27 145.78 37.92 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.56 0.8 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.579 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 18.3 Cg_endo -75.02 137.51 21.77 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.54 1.81 . . . . 0.0 111.028 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.561 ' HB3' ' CE1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -59.65 -58.59 7.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 140.64 -16.31 2.87 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.564 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 40.8 p90 -126.74 157.21 39.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 0.78 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.48 ' HA3' ' CB ' ' A' ' 47' ' ' LEU . . . -168.28 -172.93 35.74 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.518 1.136 . . . . 0.0 110.987 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.576 ' CE2' ' HG ' ' A' ' 101' ' ' LEU . 37.0 m-85 -132.82 137.53 46.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 111.034 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.589 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 26.3 t -114.71 126.79 55.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 108.308 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.476 ' HA ' ' HA ' ' A' ' 17' ' ' SER . 4.4 tt0 -99.28 130.98 45.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.254 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.468 ' CD2' ' HA ' ' A' ' 70' ' ' ALA . 7.2 m-85 -99.78 -168.61 1.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.477 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -109.59 -20.33 12.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.269 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -136.77 137.64 40.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.484 ' OE1' ' CD1' ' A' ' 71' ' ' LEU . 2.2 tm0? -57.26 -38.84 74.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 0.0 110.256 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -63.26 -37.82 88.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.461 HG22 ' CE1' ' A' ' 64' ' ' TYR . 25.7 m -66.88 -43.19 84.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 0.0 110.412 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.468 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . . . -67.89 -39.39 83.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.484 ' CD1' ' OE1' ' A' ' 67' ' ' GLN . 6.2 mt -68.38 -42.61 78.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.455 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 5.9 t -62.74 -38.8 91.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.973 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.424 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -66.56 -38.56 87.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.546 ' O ' ' HB3' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -61.45 -48.5 80.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.9 ttm105 -76.76 -26.95 55.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 72' ' ' SER . 1.0 OUTLIER -77.66 -18.96 56.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.568 HD13 ' CE1' ' A' ' 36' ' ' PHE . 4.7 mt -119.39 -80.14 0.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.546 ' HB3' ' O ' ' A' ' 74' ' ' MET . 7.3 p-10 31.07 66.74 0.14 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.46 53.79 2.69 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.466 1.104 . . . . 0.0 111.014 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -88.32 121.01 30.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 110.344 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.81 135.34 47.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.331 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.433 ' CD2' HD11 ' A' ' 35' ' ' ILE . 14.1 t80 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 111.029 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.468 ' CD1' HG12 ' A' ' 23' ' ' ILE . 1.9 mm? -90.58 87.88 6.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.93 124.8 18.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.336 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.3 t -125.32 124.23 66.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -139.63 135.91 33.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 90' ' ' ASP . 2.1 t30 -37.83 136.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -82.93 48.46 1.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -156.2 24.99 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.496 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -78.45 155.86 29.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.983 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -68.39 -33.28 73.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.1 pttt -82.22 -36.01 27.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.501 ' C ' ' OD1' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -73.54 -16.69 61.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.457 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 0.1 OUTLIER -60.71 -35.53 76.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -68.16 -37.56 81.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.333 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.48 ' OE1' ' CZ ' ' A' ' 19' ' ' PHE . 8.7 mt-10 -72.13 -42.96 65.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.576 ' HG ' ' CE2' ' A' ' 61' ' ' PHE . 2.9 mt -60.84 -38.61 86.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.7 tttt -46.33 -30.88 2.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.4 m -85.78 -33.4 21.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.032 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.483 ' CD2' ' CG1' ' A' ' 48' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.483 ' HB3' ' CB ' ' A' ' 93' ' ' ALA . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.465 ' HB3' ' CG ' ' A' ' 67' ' ' GLN . 1.1 mt -71.25 -12.71 61.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.457 ' HA ' ' CB ' ' A' ' 70' ' ' ALA . 13.4 mtp180 -88.56 -79.41 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.29 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.498 ' O ' ' CB ' ' A' ' 92' ' ' ALA . 16.7 m -38.55 114.01 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.025 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.449 ' CG1' ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -111.68 126.01 69.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 109.339 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.482 ' CE2' ' HB2' ' A' ' 59' ' ' TYR . 2.3 t80 -78.39 129.84 35.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.567 HG23 ' CZ ' ' A' ' 36' ' ' PHE . 2.8 t -115.67 133.43 62.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -134.35 -174.53 13.52 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.43 1.081 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.445 ' CB ' ' O ' ' A' ' 86' ' ' ALA . 7.0 m-20 62.03 24.73 14.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 0.742 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.9 mt -96.44 113.87 63.34 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 174.83 12.09 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.464 1.771 . . . . 0.0 111.037 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.563 ' CE2' ' HD2' ' A' ' 56' ' ' PRO . 3.8 m-85 -74.31 -4.57 36.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 111.042 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.55 -9.32 44.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.155 . . . . 0.0 110.341 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.535 ' CB ' ' CD ' ' A' ' 31' ' ' GLN . . . -121.45 105.95 10.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.5 p -95.95 176.93 5.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.355 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.459 ' HG3' ' CD1' ' A' ' 47' ' ' LEU . 24.4 mt-10 -55.32 -27.58 47.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -59.53 -33.08 70.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.656 ' NE2' ' CE1' ' A' ' 82' ' ' PHE . 0.2 OUTLIER -90.17 -45.61 8.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.26 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.462 HD11 ' CG ' ' A' ' 31' ' ' GLN . 0.4 OUTLIER -56.74 -49.02 76.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.421 ' HG3' ' CG1' ' A' ' 42' ' ' VAL . 0.2 OUTLIER -61.36 -37.71 84.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.231 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.37 -39.18 91.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.164 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.9 mt -68.09 -46.67 81.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.567 ' CZ ' HG23 ' A' ' 20' ' ' VAL . 3.9 m-85 -67.75 -29.42 68.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 111.059 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.459 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 54.5 p -63.96 -33.54 75.95 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.462 1.101 . . . . 0.0 110.0 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -63.7 -10.84 21.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.412 1.07 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.477 HG11 ' CA ' ' A' ' 73' ' ' ALA . 5.0 t -101.92 -11.07 8.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.459 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 148.26 -163.65 28.94 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.518 1.136 . . . . 0.0 110.97 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 135.29 18.85 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.499 1.789 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.421 ' CG1' ' HG3' ' A' ' 33' ' ' LYS . 70.7 t -106.14 122.31 59.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.459 HG23 ' CA ' ' A' ' 65' ' ' GLN . 2.6 t -72.91 -74.44 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.33 174.45 10.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.0 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.589 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.7 OUTLIER -167.5 113.2 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -132.99 137.34 46.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.477 ' HA ' ' CA ' ' A' ' 60' ' ' GLY . 0.2 OUTLIER -111.78 178.6 4.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.562 HG22 ' CD2' ' A' ' 59' ' ' TYR . 3.3 m -90.22 122.45 41.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.517 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 0.9 OUTLIER -127.29 119.35 26.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 54' ' ' GLY . 26.5 m-20 -71.55 109.28 5.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 78.3 mtm-85 -72.99 -31.97 64.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -71.89 -32.72 67.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 60.3 m -104.49 -3.4 24.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 110.397 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 48.43 21.43 2.0 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.5 mmtt -118.06 144.93 35.74 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 0.757 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.563 ' HD2' ' CE2' ' A' ' 25' ' ' TYR . 18.2 Cg_endo -74.97 139.59 24.54 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.48 1.779 . . . . 0.0 110.983 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.478 ' HB2' ' CG2' ' A' ' 48' ' ' VAL . 0.5 OUTLIER -61.46 -56.64 17.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.262 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 137.81 -21.37 3.2 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.544 1.152 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.562 ' CD2' HG22 ' A' ' 48' ' ' VAL . 53.1 p90 -124.64 157.25 35.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 0.789 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.477 ' CA ' ' HA ' ' A' ' 47' ' ' LEU . . . -156.35 -171.86 23.1 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.566 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 72.4 m-85 -132.33 137.76 47.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 0.764 . . . . 0.0 110.98 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.589 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 24.3 t -114.07 124.16 51.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 108.313 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.93 125.92 46.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.449 ' CD2' ' HA ' ' A' ' 70' ' ' ALA . 2.6 m-85 -95.13 -167.35 1.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.459 ' CA ' HG23 ' A' ' 43' ' ' VAL . 3.4 tt0 -114.58 -15.01 12.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.252 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -139.94 135.89 33.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.465 ' CG ' ' HB3' ' A' ' 15' ' ' LEU . 11.3 tt0 -57.44 -38.57 74.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -63.03 -37.77 88.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.0 m -67.53 -42.51 82.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.438 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.457 ' CB ' ' HA ' ' A' ' 16' ' ' ARG . . . -68.06 -39.46 83.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.9 mt -69.16 -42.15 76.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.443 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 3.6 m -64.78 -37.78 88.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.951 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.488 ' O ' ' CD1' ' A' ' 77' ' ' LEU . . . -66.76 -38.63 86.98 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.512 ' O ' ' CB ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -63.56 -47.02 83.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 111.018 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.78 -25.59 49.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.281 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 72' ' ' SER . 58.2 m-20 -75.6 -35.33 60.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.488 ' CD1' ' O ' ' A' ' 73' ' ' ALA . 6.1 mp -103.67 -91.36 0.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.512 ' CB ' ' O ' ' A' ' 74' ' ' MET . 1.2 t-20 37.72 88.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 71.74 43.16 52.06 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.479 1.112 . . . . 0.0 110.963 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.11 120.56 27.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.782 . . . . 0.0 110.313 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -60.73 135.6 57.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.656 ' CE1' ' NE2' ' A' ' 31' ' ' GLN . 5.3 t80 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.445 ' O ' ' CB ' ' A' ' 22' ' ' ASN . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.254 -0.646 . . . . 0.0 109.254 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.36 94.5 9.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.04 110.61 2.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 110.288 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 38.9 t -115.42 121.55 67.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.76 154.4 46.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -54.19 122.68 10.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -57.45 -17.98 15.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.483 ' CB ' ' HB3' ' A' ' 14' ' ' SER . . . -90.73 38.46 0.95 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.406 ' HB2' ' ND2' ' A' ' 97' ' ' ASN . 0.4 OUTLIER -92.23 154.47 18.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.972 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.75 -36.89 82.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -81.47 -33.86 31.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.406 ' ND2' ' HB2' ' A' ' 94' ' ' SER . 78.9 m-20 -72.34 -19.83 61.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -64.54 -43.95 92.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -62.53 -36.05 81.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.244 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.541 ' OE1' ' CZ ' ' A' ' 59' ' ' TYR . 2.0 mm-40 -71.57 -42.94 67.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.284 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.566 ' HG ' ' CZ ' ' A' ' 61' ' ' PHE . 0.6 OUTLIER -63.02 -32.77 74.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -51.96 -28.49 16.88 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.45 -35.95 20.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.012 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.466 ' CD1' HG13 ' A' ' 48' ' ' VAL . 3.3 tp . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.1 t0 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 166.36 29.38 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.543 1.812 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 177.43 45.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 36.2 t -85.88 -32.88 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.53 -34.95 73.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.49 -38.15 74.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.34 -40.38 94.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 110.031 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.431 ' HB3' ' CG ' ' A' ' 67' ' ' GLN . 2.5 mt -69.54 -13.55 62.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.0 mtm-85 -111.18 76.12 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.297 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.508 ' O ' ' CB ' ' A' ' 92' ' ' ALA . 3.2 m 175.27 125.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.991 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.45 ' CG1' ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -117.45 125.88 74.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.417 ' CE1' ' HB2' ' A' ' 59' ' ' TYR . 24.6 t80 -79.4 129.23 34.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.488 HG22 ' CZ ' ' A' ' 36' ' ' PHE . 2.8 t -117.25 133.22 64.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -138.66 -175.62 14.08 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.483 1.114 . . . . 0.0 111.052 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.7 t30 62.61 21.9 12.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.755 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.445 HD12 ' CG1' ' A' ' 20' ' ' VAL . 3.1 mt -95.43 114.43 63.86 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.467 ' CD ' ' HB3' ' A' ' 83' ' ' SER . 18.3 Cg_endo -75.0 -175.49 2.39 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.549 1.815 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.572 ' CE2' ' HD2' ' A' ' 56' ' ' PRO . 3.6 m-85 -75.39 -4.72 41.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 111.022 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -91.6 -15.71 28.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.441 ' HB1' ' CG2' ' A' ' 23' ' ' ILE . . . -110.49 93.42 4.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.474 ' O ' ' CD2' ' A' ' 32' ' ' LEU . 7.5 p -90.88 174.81 7.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.385 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.411 ' CD ' ' O ' ' A' ' 45' ' ' PHE . 13.1 mt-10 -57.73 -30.22 65.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -61.12 -33.81 73.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.266 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -88.5 -45.18 10.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.474 ' CD2' ' O ' ' A' ' 28' ' ' THR . 0.3 OUTLIER -57.01 -48.84 77.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.353 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -61.24 -37.87 84.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.25 -39.19 92.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.415 ' CG2' HD21 ' A' ' 77' ' ' LEU . 20.2 mt -67.57 -46.97 81.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.56 ' CE1' HD22 ' A' ' 77' ' ' LEU . 3.5 m-85 -68.27 -27.53 66.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 111.011 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.483 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 35.5 p -61.48 -32.93 72.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 110.048 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -68.03 -13.51 62.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.268 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.476 ' CG1' ' HA ' ' A' ' 73' ' ' ALA . 24.2 t -104.88 1.07 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.483 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 133.64 176.33 14.34 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.46 1.1 . . . . 0.0 110.973 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 123.34 7.82 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.544 1.812 . . . . 0.0 111.035 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.1 m -92.79 122.2 44.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.243 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.475 ' CG2' ' HB2' ' A' ' 65' ' ' GLN . 97.9 t -55.91 -58.92 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.346 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.88 161.91 39.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 110.022 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 62' ' ' CYS . 0.6 OUTLIER -147.07 116.96 7.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 111.0 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -128.14 136.61 51.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.568 HD23 ' CD1' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -117.99 174.93 5.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.571 HG21 ' CD2' ' A' ' 59' ' ' TYR . 3.4 m -88.1 121.93 39.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.556 ' CE1' ' HB3' ' A' ' 56' ' ' PRO . 1.1 m-85 -126.21 119.28 27.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 54' ' ' GLY . 15.6 m-20 -72.14 109.09 5.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -73.1 -30.34 63.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.272 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -71.31 -32.45 68.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.469 HG22 ' CD ' ' A' ' 55' ' ' LYS . 18.5 m -105.91 -4.14 21.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.41 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 51.01 19.9 3.99 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.469 ' CD ' HG22 ' A' ' 53' ' ' THR . 0.8 OUTLIER -117.92 145.49 36.84 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.53 0.783 . . . . 0.0 109.333 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.572 ' HD2' ' CE2' ' A' ' 25' ' ' TYR . 18.4 Cg_endo -74.99 137.88 22.32 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.486 1.782 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -57.87 -57.41 12.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 137.92 -18.86 3.33 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.438 1.086 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.571 ' CD2' HG21 ' A' ' 48' ' ' VAL . 26.2 p90 -124.57 156.91 36.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.753 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.473 ' HA3' ' CD2' ' A' ' 47' ' ' LEU . . . -161.67 -174.35 31.44 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.476 1.11 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.566 ' CE2' ' HG ' ' A' ' 101' ' ' LEU . 75.5 m-85 -131.96 139.89 48.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.754 . . . . 0.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 26.0 t -117.6 121.99 42.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 108.29 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.425 ' HA ' ' HA ' ' A' ' 17' ' ' SER . 13.5 tt0 -100.25 123.51 44.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.54 ' CE1' HG23 ' A' ' 69' ' ' THR . 9.8 m-85 -93.58 -170.7 2.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.475 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . 2.2 tt0 -109.0 -15.12 14.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -136.91 134.27 36.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.431 ' CG ' ' HB3' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -57.26 -40.82 78.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.311 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -62.36 -37.68 86.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.274 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.54 HG23 ' CE1' ' A' ' 64' ' ' TYR . 23.6 m -65.57 -44.16 87.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 110.413 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.446 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . . . -67.65 -39.52 84.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.3 mt -67.47 -42.0 83.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.447 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 5.0 t -62.96 -38.34 90.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.967 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.476 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . . . -66.61 -38.26 86.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.503 ' O ' ' CB ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -63.28 -46.8 85.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.6 ttm180 -77.44 -26.12 51.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.352 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 72' ' ' SER . 1.0 OUTLIER -75.49 -35.05 60.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.56 HD22 ' CE1' ' A' ' 36' ' ' PHE . 8.2 mp -103.14 -90.92 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 74' ' ' MET . 1.5 t30 37.62 88.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.98 37.66 87.95 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.86 121.44 26.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 110.285 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.5 136.2 57.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.441 ' C ' ' CD1' ' A' ' 82' ' ' PHE . 6.0 t80 178.76 -40.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.467 ' HB3' ' CD ' ' A' ' 24' ' ' PRO . 12.5 m -89.3 20.66 3.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.142 . . . . 0.0 110.002 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.6 5.97 89.16 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.469 1.105 . . . . 0.0 111.027 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.489 ' O ' ' CB ' ' A' ' 86' ' ' ALA . 0.1 OUTLIER -144.02 -66.9 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 0.792 . . . . 0.0 110.291 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 85' ' ' ARG . . . 164.06 142.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.424 ' CD1' HG12 ' A' ' 23' ' ' ILE . 0.4 OUTLIER -96.21 93.16 6.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 17.2 mtt-85 -63.82 118.78 8.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.6 t -124.96 122.85 64.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -139.6 143.12 37.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.409 ' O ' ' ND2' ' A' ' 97' ' ' ASN . 1.7 t30 -45.54 134.92 6.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -72.38 -13.33 61.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.539 1.15 . . . . 0.0 109.354 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -91.7 23.06 3.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.05 148.96 30.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.949 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -63.68 -36.34 83.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.263 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.02 -33.49 33.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.409 ' ND2' ' O ' ' A' ' 91' ' ' ASN . 6.7 m-20 -71.91 -19.79 61.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -65.16 -33.16 75.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.68 -40.43 92.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.327 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -71.44 -42.69 67.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 110.331 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.566 ' HG ' ' CE2' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -62.87 -32.83 74.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.1 tptm -48.92 -28.73 4.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.56 -36.84 20.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.987 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.461 ' CD1' HG11 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -84.94 7.5 20.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.265 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -81.03 66.75 3.72 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 39.8 p -92.27 -46.77 7.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 0.773 . . . . 0.0 110.386 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.34 99.62 0.46 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.453 1.095 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -142.16 154.6 64.71 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 81.23 2.26 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.454 1.765 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 33.2 m -120.5 136.43 57.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.4 pp . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.297 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.4 ' CB ' ' CD ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.4 ' CD ' ' CB ' ' A' ' 8' ' ' ASP . 18.3 Cg_endo -75.07 -162.52 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.472 1.775 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -170.57 89.94 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 38.9 t -70.11 -31.11 46.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.43 -33.74 70.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.423 ' HG2' ' N ' ' A' ' 14' ' ' SER . 3.7 ptt180 -56.34 -36.06 68.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.423 ' N ' ' HG2' ' A' ' 13' ' ' ARG . 0.3 OUTLIER -61.93 -32.66 73.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.989 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.452 ' CB ' ' NE2' ' A' ' 67' ' ' GLN . 0.8 OUTLIER -69.22 -16.69 63.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 109.307 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 17' ' ' SER . 23.7 mtm-85 -93.1 -61.48 1.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.522 ' O ' ' CB ' ' A' ' 92' ' ' ALA . 16.3 m -37.49 115.0 0.37 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.963 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.456 ' CG1' ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -111.92 125.88 69.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.244 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.66 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 30.3 t80 -81.61 129.7 34.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 111.035 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.454 HG12 ' CD1' ' A' ' 23' ' ' ILE . 17.1 t -116.84 133.14 64.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.99 -175.44 13.91 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 62.92 22.19 13.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 109.262 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.454 ' CD1' HG12 ' A' ' 20' ' ' VAL . 3.2 mt -95.47 114.28 63.55 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.457 ' CD ' ' HB3' ' A' ' 83' ' ' SER . 18.2 Cg_endo -74.94 -164.12 0.22 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.46 1.768 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 16.8 m-30 -87.88 -8.13 56.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -88.11 -11.67 46.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.258 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -117.76 96.45 5.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.105 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.4 p -90.85 174.21 7.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.369 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.463 ' HG3' ' CD2' ' A' ' 47' ' ' LEU . 66.6 mt-10 -57.75 -30.53 65.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 110.322 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -60.7 -33.91 73.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.332 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -86.83 -45.06 11.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.416 ' N ' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -56.78 -48.64 77.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -61.18 -37.74 84.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.63 -39.48 93.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.489 HD13 ' CZ ' ' A' ' 82' ' ' PHE . 6.8 mt -68.16 -46.28 81.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.47 ' HB3' ' CG2' ' A' ' 42' ' ' VAL . 0.3 OUTLIER -67.52 -29.31 68.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.953 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 52.1 p -62.95 -33.85 76.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 110.049 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.424 ' CA ' ' OE1' ' A' ' 38' ' ' GLU . 2.2 tp10 -70.87 -12.73 61.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.321 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.456 ' CG1' ' HA ' ' A' ' 73' ' ' ALA . 20.3 t -104.0 7.06 10.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.43 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 135.02 -174.66 21.04 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 132.64 15.66 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.457 1.767 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.47 ' CG2' ' HB3' ' A' ' 36' ' ' PHE . 53.4 t -104.58 122.29 57.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.468 HG22 ' CA ' ' A' ' 65' ' ' GLN . 2.4 t -72.13 -59.45 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.78 163.88 34.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.006 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.599 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.7 OUTLIER -152.26 114.82 4.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 111.025 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -125.44 129.6 50.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.343 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.569 HD13 ' CE2' ' A' ' 49' ' ' TYR . 3.9 pp -116.14 177.95 4.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.574 HG21 ' CD2' ' A' ' 59' ' ' TYR . 2.9 m -86.47 121.56 37.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.581 ' CE1' ' HB3' ' A' ' 56' ' ' PRO . 1.1 m-85 -122.79 119.62 31.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 54' ' ' GLY . 42.5 m-20 -75.76 109.69 9.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.4 mtt-85 -72.42 -28.12 62.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.331 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -68.99 -31.33 70.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.323 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -111.28 -3.14 15.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.417 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 53.15 17.85 5.86 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.568 1.167 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -117.92 146.26 38.6 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.463 0.743 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.581 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 18.0 Cg_endo -75.03 137.42 21.63 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 0.0 110.962 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 59' ' ' TYR . 2.0 mmtm -53.34 -58.26 7.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 142.53 -17.04 2.45 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.574 ' CD2' HG21 ' A' ' 48' ' ' VAL . 32.9 p90 -125.76 156.61 39.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 0.754 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.479 ' HA3' ' CB ' ' A' ' 47' ' ' LEU . . . -166.04 -170.33 30.82 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.66 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 85.4 m-85 -132.11 137.85 47.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 0.786 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.599 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 11.7 t -116.2 121.62 42.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 108.292 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -100.0 123.35 44.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -92.44 -167.62 1.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.468 ' CA ' HG22 ' A' ' 43' ' ' VAL . 2.6 tt0 -108.8 -17.99 13.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.258 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -136.94 132.64 34.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.452 ' NE2' ' CB ' ' A' ' 15' ' ' LEU . 11.5 tt0 -57.33 -37.44 72.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.77 -38.15 89.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 89.1 m -68.33 -41.41 80.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.35 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.0 -39.47 83.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.0 mt -69.59 -43.91 71.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.449 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 93.2 p -62.79 -38.26 89.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.016 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.456 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . . . -66.88 -38.34 86.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.519 ' O ' ' CB ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -63.32 -47.06 83.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 111.032 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -77.52 -25.44 50.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 110.304 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 72' ' ' SER . 46.9 m-20 -75.94 -35.13 59.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.457 ' O ' ' C ' ' A' ' 78' ' ' ASN . 8.9 mp -103.46 -92.0 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' A' ' 74' ' ' MET . 1.3 t-20 36.34 85.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.344 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 84.98 32.71 20.22 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -81.87 120.33 25.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 0.788 . . . . 0.0 110.263 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -61.11 138.44 58.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.489 ' CZ ' HD13 ' A' ' 35' ' ' ILE . 46.7 t80 -178.6 -43.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.457 ' HB3' ' CD ' ' A' ' 24' ' ' PRO . 20.7 m -88.54 19.9 3.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.009 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.52 5.82 89.16 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.472 1.108 . . . . 0.0 111.018 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.471 ' O ' ' CB ' ' A' ' 86' ' ' ALA . 0.1 OUTLIER -139.16 -69.64 0.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 110.34 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 85' ' ' ARG . . . 164.76 142.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -91.41 94.91 9.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.93 99.72 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.158 . . . . 0.0 110.332 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 30.5 t -106.47 122.59 60.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.03 154.46 47.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.467 ' OD1' ' CE ' ' A' ' 74' ' ' MET . 1.2 t30 -58.51 122.12 12.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.522 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -61.67 -14.03 27.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 109.318 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -90.62 23.58 2.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.77 154.51 28.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.01 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -64.46 -36.39 84.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.8 mmtt -81.13 -33.74 33.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.41 ' ND2' ' O ' ' A' ' 91' ' ' ASN . 72.1 m-20 -72.12 -19.93 61.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.25 -41.9 93.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.093 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -62.64 -35.23 78.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.586 ' OE2' ' CE2' ' A' ' 19' ' ' PHE . 9.8 mt-10 -71.57 -43.22 66.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.326 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.573 ' HG ' ' CZ ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -63.14 -32.84 74.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.72 -28.71 15.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.3 t -85.49 -34.89 21.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.989 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.472 ' CD1' HG11 ' A' ' 48' ' ' VAL . 1.2 tp -84.87 7.51 20.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -145.26 131.25 4.15 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 7.2 t -160.53 111.4 1.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 0.787 . . . . 0.0 110.391 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -77.28 164.06 52.31 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.499 1.124 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 64.5 89.85 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.772 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 146.64 32.96 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.503 1.791 . . . . 0.0 111.003 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.408 HG13 ' N ' ' A' ' 111' ' ' ILE . 72.7 t -133.53 139.25 49.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.408 ' N ' HG13 ' A' ' 110' ' ' VAL . 6.9 mm . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.513 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 8' ' ' ASP . 18.3 Cg_endo -74.99 -178.08 3.92 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.536 1.808 . . . . 0.0 110.978 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -151.47 59.34 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.9 t -69.96 -32.83 52.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.254 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.06 -34.77 72.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -41.04 98.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.3 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.8 -40.42 95.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.003 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.51 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -69.47 -14.02 62.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.8 mtm-85 -107.78 71.62 0.82 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.503 ' O ' ' CB ' ' A' ' 92' ' ' ALA . 3.3 m 176.31 126.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.015 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.417 ' CG1' ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -119.07 125.98 74.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.279 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.587 ' CD2' ' OD1' ' A' ' 97' ' ' ASN . 1.7 t80 -79.48 129.44 34.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.496 HG23 ' CZ ' ' A' ' 36' ' ' PHE . 2.2 t -115.93 133.31 62.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -134.83 174.54 21.04 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 t30 71.68 23.38 3.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 109.259 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.452 ' CG2' ' HB3' ' A' ' 27' ' ' ALA . 3.4 mt -95.13 114.2 63.18 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.47 ' CD ' ' HB3' ' A' ' 83' ' ' SER . 18.4 Cg_endo -75.0 -179.54 5.09 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.473 1.775 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -75.6 -5.07 43.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.56 -9.95 42.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.452 ' HB3' ' CG2' ' A' ' 23' ' ' ILE . . . -114.44 96.1 5.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.118 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.409 ' O ' ' CD2' ' A' ' 32' ' ' LEU . 10.3 p -90.63 174.74 7.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.398 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.451 ' HG3' ' CD1' ' A' ' 47' ' ' LEU . 36.0 mt-10 -57.54 -30.04 64.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 110.334 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -60.76 -33.56 73.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -89.95 -45.16 9.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.411 ' N ' HD11 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -57.27 -49.11 77.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.474 ' CG ' HG12 ' A' ' 42' ' ' VAL . 2.8 ttpp -61.76 -37.66 85.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.429 1.081 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.61 -38.54 89.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.553 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 8.0 mt -68.27 -47.22 79.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.496 ' CZ ' HG23 ' A' ' 20' ' ' VAL . 6.8 m-85 -68.15 -29.31 68.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.433 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 60.9 p -63.57 -35.19 79.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 109.984 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.406 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 15.0 tp10 -70.83 -12.59 61.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.248 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.452 ' CG1' ' HA ' ' A' ' 73' ' ' ALA . 1.7 t -104.17 7.17 10.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.433 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 135.03 -177.23 19.49 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 122.82 7.44 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.474 1.776 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.504 ' CG2' ' SG ' ' A' ' 62' ' ' CYS . 11.1 p -100.93 123.03 53.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.473 ' CG2' ' HB2' ' A' ' 65' ' ' GLN . 30.9 t -72.06 -76.15 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.5 p -134.87 160.93 36.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.983 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.595 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.8 OUTLIER -152.66 115.1 4.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.9 mtt-85 -130.95 140.91 50.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.287 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.477 ' CD2' ' HA3' ' A' ' 60' ' ' GLY . 0.2 OUTLIER -118.33 176.86 5.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.561 HG21 ' CD2' ' A' ' 59' ' ' TYR . 3.5 m -87.14 121.57 38.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.531 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 1.0 OUTLIER -124.83 119.24 28.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.579 1.174 . . . . 0.0 110.97 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 54' ' ' GLY . 17.1 m-20 -72.74 109.54 6.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.6 mtt-85 -72.58 -29.71 63.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -70.81 -31.38 68.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.3 p -108.32 -3.32 18.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.371 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 51.32 18.83 3.66 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -118.21 145.25 36.62 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.483 0.754 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.531 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . 18.4 Cg_endo -74.96 137.69 22.14 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.483 1.781 . . . . 0.0 111.012 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.507 ' HB3' ' CE1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -55.99 -57.37 12.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 141.3 -19.73 2.64 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.504 1.128 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.561 ' CD2' HG21 ' A' ' 48' ' ' VAL . 41.0 p90 -123.87 156.93 35.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.477 ' HA3' ' CD2' ' A' ' 47' ' ' LEU . . . -159.47 -174.0 28.65 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.569 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 80.3 m-85 -132.14 139.92 48.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 0.767 . . . . 0.0 111.023 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.595 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 9.7 t -117.83 121.48 40.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 108.295 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.436 ' HA ' ' HA ' ' A' ' 17' ' ' SER . 3.0 tt0 -99.92 123.41 44.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 110.275 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.559 ' CD2' HG21 ' A' ' 69' ' ' THR . 2.2 m-30 -94.22 -168.29 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.473 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . 1.0 OUTLIER -114.19 -13.42 12.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -132.97 131.24 40.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.244 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.463 ' CG ' ' HB3' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -60.74 -42.92 98.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 110.325 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -60.0 -37.69 80.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.559 HG21 ' CD2' ' A' ' 64' ' ' TYR . 94.2 m -67.01 -41.84 85.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.415 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.96 -39.41 90.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.257 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.407 ' HG ' ' N ' ' A' ' 72' ' ' SER . 0.1 OUTLIER -69.5 -48.39 60.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.44 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 3.4 m -59.98 -37.51 79.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.583 1.177 . . . . 0.0 109.986 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.452 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . . . -66.7 -38.45 86.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.513 ' O ' ' CB ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -63.58 -47.27 82.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.978 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.76 -25.55 49.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 72' ' ' SER . 63.9 m-20 -75.9 -35.2 59.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 78' ' ' ASN . 4.2 mt -103.62 -91.79 0.36 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.513 ' CB ' ' O ' ' A' ' 74' ' ' MET . 1.3 t-20 37.38 87.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 78.12 37.99 27.33 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.457 1.098 . . . . 0.0 111.034 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.27 120.86 26.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 0.748 . . . . 0.0 110.302 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.81 133.77 55.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.553 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 11.6 t80 -174.61 -43.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.47 ' HB3' ' CD ' ' A' ' 24' ' ' PRO . 14.6 m -88.38 19.11 3.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 109.986 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.63 5.92 86.15 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.532 1.145 . . . . 0.0 110.985 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -142.5 -76.99 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 110.356 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . 172.3 141.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 109.307 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.446 ' CD1' HG12 ' A' ' 23' ' ' ILE . 1.7 mm? -90.52 94.54 9.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -64.59 100.86 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 42.7 t -106.27 122.04 59.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.356 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -139.97 137.56 34.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 90' ' ' ASP . 2.1 t30 -40.27 135.34 1.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -73.52 -12.5 60.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -91.97 25.28 2.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.34 150.1 27.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.007 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -65.74 -36.54 83.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.329 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.66 -33.59 58.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.587 ' OD1' ' CD2' ' A' ' 19' ' ' PHE . 1.9 m-80 -72.12 -19.78 61.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -64.54 -34.25 77.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.083 . . . . 0.0 109.263 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -66.21 -42.29 88.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.147 . . . . 0.0 110.257 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.554 ' HG2' ' CE2' ' A' ' 59' ' ' TYR . 0.7 OUTLIER -71.45 -42.79 67.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.569 ' HG ' ' CZ ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -62.41 -32.84 73.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -54.31 -30.55 51.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.143 . . . . 0.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.1 t -85.72 -35.04 21.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.995 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.461 ' CD1' HG12 ' A' ' 48' ' ' VAL . 6.5 tp -79.44 0.96 27.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 75.79 129.85 0.29 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.483 1.114 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 8.7 t -92.8 12.0 25.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 0.792 . . . . 0.0 110.422 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -177.2 70.33 0.08 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -114.6 92.19 27.95 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.502 0.766 . . . . 0.0 109.286 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 62.96 6.05 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.439 1.757 . . . . 0.0 110.978 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 12.3 p -124.97 137.27 58.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 6.3 pt . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.579 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 8' ' ' ASP . 18.2 Cg_endo -74.99 -89.71 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.463 1.77 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 9' ' ' PRO . . . 82.95 -5.57 1.27 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.3 t -86.34 -33.22 7.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -72.87 -45.71 56.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.5 mtt180 -57.23 -39.5 75.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.04 -40.38 93.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.993 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.543 ' CD1' ' NE2' ' A' ' 67' ' ' GLN . 8.1 mt -72.15 -12.6 61.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.6 mtp180 -115.08 54.57 0.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.471 ' CB ' ' HB3' ' A' ' 92' ' ' ALA . 36.2 m -164.3 126.25 2.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.009 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -123.72 125.68 71.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.564 ' CZ ' ' OE1' ' A' ' 100' ' ' GLU . 42.5 t80 -78.01 129.13 34.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.951 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.462 ' CG1' HD13 ' A' ' 23' ' ' ILE . 2.2 t -119.23 132.96 67.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -140.63 -176.45 15.26 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.499 1.124 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.413 ' HB2' ' NH1' ' A' ' 88' ' ' ARG . 21.9 t-20 58.6 29.4 18.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 0.789 . . . . 0.0 109.275 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.467 ' CG2' ' HB3' ' A' ' 27' ' ' ALA . 2.0 mt -99.16 118.89 61.86 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.252 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 173.74 13.99 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.481 1.78 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.524 ' CZ ' ' HD2' ' A' ' 56' ' ' PRO . 3.6 m-30 -73.63 -1.99 21.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -91.41 -9.62 44.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.329 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.467 ' HB3' ' CG2' ' A' ' 23' ' ' ILE . . . -114.72 98.23 6.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.349 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.3 p -90.2 174.08 7.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.382 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.456 ' HG3' ' CD1' ' A' ' 47' ' ' LEU . 22.0 mt-10 -57.88 -30.85 66.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -63.64 -33.25 75.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.562 1.163 . . . . 0.0 110.34 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -86.94 -45.2 11.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.432 ' HA ' ' CD1' ' A' ' 35' ' ' ILE . 10.8 mp -58.77 -49.36 77.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.443 ' HG3' ' CG1' ' A' ' 42' ' ' VAL . 4.2 tttt -57.64 -37.76 73.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.402 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 0.5 OUTLIER -66.31 -37.0 84.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.572 HD13 ' CZ ' ' A' ' 82' ' ' PHE . 8.5 mt -68.09 -47.89 76.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -68.89 -29.04 67.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.445 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 68.7 p -63.0 -33.53 75.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 109.998 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.402 ' CG ' ' O ' ' A' ' 34' ' ' ASP . 2.5 mt-10 -65.54 -12.54 53.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.585 1.178 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.481 ' CG1' ' HA ' ' A' ' 73' ' ' ALA . 4.3 t -103.96 7.26 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.445 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 130.18 -171.3 20.56 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 119.43 5.64 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.546 1.814 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.443 ' CG1' ' HG3' ' A' ' 33' ' ' LYS . 11.1 p -92.74 122.15 43.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.497 ' CG1' ' N ' ' A' ' 44' ' ' SER . 2.3 t -66.07 -81.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.497 ' N ' ' CG1' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -132.55 167.46 19.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 110.004 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' A' ' 62' ' ' CYS . 0.8 OUTLIER -160.76 114.21 2.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -132.84 142.13 48.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.316 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.464 ' CD2' ' HA3' ' A' ' 60' ' ' GLY . 0.2 OUTLIER -116.72 176.67 5.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.565 HG23 ' CD2' ' A' ' 59' ' ' TYR . 3.7 m -88.2 121.67 38.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 2.5 m-85 -123.81 119.35 29.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 111.053 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 54' ' ' GLY . 3.8 m-20 -74.2 108.19 6.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.4 mtt-85 -73.12 -27.72 61.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.24 -29.69 67.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.244 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.508 ' CG2' ' HB2' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -111.04 -6.62 14.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.363 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 58.36 17.66 33.02 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.508 ' HB2' ' CG2' ' A' ' 53' ' ' THR . 0.7 OUTLIER -119.78 145.62 39.83 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.576 0.81 . . . . 0.0 109.26 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.524 ' HD2' ' CZ ' ' A' ' 25' ' ' TYR . 18.3 Cg_endo -74.97 137.84 22.31 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.507 1.793 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.559 ' HB3' ' CE1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -53.31 -57.49 10.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 141.9 -20.24 2.52 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.504 1.127 . . . . 0.0 110.965 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.565 ' CD2' HG23 ' A' ' 48' ' ' VAL . 32.9 p90 -122.74 156.51 34.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 0.768 . . . . 0.0 111.048 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.464 ' HA3' ' CD2' ' A' ' 47' ' ' LEU . . . -157.59 -175.04 28.07 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.559 ' CE2' ' HG ' ' A' ' 101' ' ' LEU . 75.6 m-85 -132.2 139.68 48.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 0.784 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.574 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 27.0 t -117.79 123.07 45.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 108.261 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -99.76 125.37 45.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.284 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.481 ' CD2' ' HA ' ' A' ' 70' ' ' ALA . 2.5 m-85 -94.34 -167.09 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -112.74 -15.22 13.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -141.48 133.81 28.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.543 ' NE2' ' CD1' ' A' ' 15' ' ' LEU . 32.9 tt0 -57.39 -37.93 73.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 110.272 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -61.66 -38.59 88.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.3 m -68.1 -41.22 82.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 0.0 110.372 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.481 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . . . -67.89 -38.93 83.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.5 mt -69.22 -46.05 68.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.419 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 8.6 t -62.31 -38.44 89.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.986 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.481 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . . . -66.26 -38.05 86.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.533 ' O ' ' CB ' ' A' ' 78' ' ' ASN . 5.5 mtp -62.59 -46.45 88.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 111.041 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -77.22 -25.8 52.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 72' ' ' SER . 10.6 m-20 -75.66 -35.27 60.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.427 HD13 ' N ' ' A' ' 77' ' ' LEU . 7.5 mp -104.75 -91.35 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.533 ' CB ' ' O ' ' A' ' 74' ' ' MET . 1.6 t30 39.59 90.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 69.62 35.43 74.43 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.543 1.152 . . . . 0.0 110.962 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.83 120.86 25.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 0.772 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -53.95 140.63 30.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.341 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.572 ' CZ ' HD13 ' A' ' 35' ' ' ILE . 38.7 t80 -178.27 117.68 0.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 82' ' ' PHE . 0.3 OUTLIER 80.18 13.64 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.986 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 90.65 16.26 55.23 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.561 1.163 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.25 152.86 39.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 0.0 110.267 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -79.36 138.6 37.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.461 ' CD2' HG12 ' A' ' 23' ' ' ILE . 7.8 mt -95.63 85.5 4.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.413 ' NH1' ' HB2' ' A' ' 22' ' ' ASN . 0.0 OUTLIER -60.23 118.82 6.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 78.2 t -125.64 123.49 64.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -139.99 137.12 34.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.457 ' N ' ' SD ' ' A' ' 74' ' ' MET . 1.2 t30 -40.53 122.88 1.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.471 ' HB3' ' CB ' ' A' ' 17' ' ' SER . . . -64.47 -11.88 38.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -90.23 22.81 3.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.6 t -79.7 154.58 28.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.01 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -67.31 -33.03 74.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.122 . . . . 0.0 110.315 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.19 -34.09 32.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.42 ' ND2' ' O ' ' A' ' 91' ' ' ASN . 86.7 m-20 -72.45 -19.63 61.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 11.2 tttm -64.18 -39.01 93.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -65.36 -38.39 89.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.564 ' OE1' ' CZ ' ' A' ' 19' ' ' PHE . 7.8 mt-10 -71.62 -42.98 66.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.559 ' HG ' ' CE2' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -62.89 -32.95 74.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.9 ttpp -49.82 -28.76 6.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.268 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.58 -36.3 20.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.995 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.5 tp -84.85 7.55 20.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -117.85 -62.63 0.3 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.6 t -45.53 137.42 5.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 0.768 . . . . 0.0 110.406 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 80.91 13.74 80.73 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.562 1.164 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.485 ' N ' ' CD ' ' A' ' 109' ' ' PRO . . . -68.71 -53.14 16.58 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 0.755 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' A' ' 108' ' ' ALA . 18.1 Cg_endo -75.05 77.34 3.17 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.495 1.787 . . . . 0.0 110.959 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 27.8 m -127.62 136.45 60.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.3 pt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.269 -179.986 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.547 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 8' ' ' ASP . 18.2 Cg_endo -74.98 -64.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.507 1.793 . . . . 0.0 110.973 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -128.3 18.8 6.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.359 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.418 ' HB ' ' N ' ' A' ' 8' ' ' ASP . 17.8 t -87.19 -33.03 6.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.5 -51.68 68.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.451 ' HE ' ' N ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -57.59 -36.52 71.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 110.316 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.451 ' N ' ' HE ' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -61.05 -40.57 94.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.007 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.432 ' HB3' ' CG ' ' A' ' 67' ' ' GLN . 10.1 mt -69.45 -13.75 62.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.4 mtm-85 -110.04 59.99 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.52 ' O ' ' CB ' ' A' ' 92' ' ' ALA . 25.2 m -170.79 122.6 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.017 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.448 ' CG1' ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -118.25 125.65 74.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.537 ' CD1' ' OD2' ' A' ' 90' ' ' ASP . 2.8 t80 -79.85 129.29 34.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.936 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.57 ' CG1' ' CD2' ' A' ' 87' ' ' LEU . 2.2 t -115.31 133.01 62.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -140.25 -178.19 16.71 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.478 1.111 . . . . 0.0 111.025 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 23.6 t30 56.92 32.13 20.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 0.799 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.469 HD11 ' CG1' ' A' ' 20' ' ' VAL . 1.3 mt -101.95 122.29 47.73 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 168.49 24.71 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.461 1.769 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.571 ' CE2' ' HD2' ' A' ' 56' ' ' PRO . 3.4 m-85 -69.42 -5.9 26.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.15 -9.62 52.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.465 ' HB3' ' CG2' ' A' ' 23' ' ' ILE . . . -113.77 98.06 6.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.24 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.2 p -90.02 174.09 7.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.413 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.457 ' HG3' ' CD1' ' A' ' 47' ' ' LEU . 19.1 mt-10 -58.03 -30.28 66.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.44 -33.18 74.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.329 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -87.9 -45.51 10.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.463 HD22 ' CD1' ' A' ' 23' ' ' ILE . 11.0 mp -59.19 -49.31 78.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -57.06 -37.92 72.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.9 -41.11 97.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.568 HG12 ' CE2' ' A' ' 82' ' ' PHE . 5.8 mt -65.69 -47.01 87.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.509 ' CZ ' HG21 ' A' ' 20' ' ' VAL . 3.4 m-85 -67.96 -28.37 67.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.506 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -62.15 -32.42 73.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.0 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -62.77 -11.37 17.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.479 HG13 ' CA ' ' A' ' 73' ' ' ALA . 86.7 t -102.39 -10.42 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.506 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 147.13 -171.36 27.84 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.448 1.092 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 121.03 6.33 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.522 1.801 . . . . 0.0 111.037 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.473 ' CG1' ' SG ' ' A' ' 62' ' ' CYS . 2.2 t -86.05 126.44 40.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.459 ' CG2' ' HB2' ' A' ' 65' ' ' GLN . 23.6 t -75.13 -70.87 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 98.7 p -140.02 164.32 30.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.998 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.594 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.7 OUTLIER -158.71 115.31 2.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.995 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.62 135.09 41.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 110.287 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.467 ' CD2' ' HA3' ' A' ' 60' ' ' GLY . 0.2 OUTLIER -110.86 176.47 5.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.344 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.561 HG22 ' CD2' ' A' ' 59' ' ' TYR . 3.5 m -87.01 121.93 38.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 1.0 OUTLIER -125.85 119.71 28.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.528 ' CB ' ' CG2' ' A' ' 53' ' ' THR . 14.5 m-20 -76.17 110.02 10.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.9 mtp-105 -71.89 -27.34 62.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -68.26 -32.19 72.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.249 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.528 ' CG2' ' CB ' ' A' ' 50' ' ' ASP . 8.5 t -112.16 -0.71 15.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.355 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 49.41 21.25 2.89 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.483 1.114 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -117.85 146.06 38.07 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.487 0.757 . . . . 0.0 109.296 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.571 ' HD2' ' CE2' ' A' ' 25' ' ' TYR . 18.3 Cg_endo -74.96 137.76 22.23 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.517 1.799 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.56 ' HB3' ' CE1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -56.97 -57.25 13.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 141.98 -19.61 2.52 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.561 ' CD2' HG22 ' A' ' 48' ' ' VAL . 31.0 p90 -124.52 156.63 37.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.773 . . . . 0.0 111.02 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.467 ' HA3' ' CD2' ' A' ' 47' ' ' LEU . . . -157.95 -175.09 28.48 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.57 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 73.8 m-85 -132.41 140.29 48.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.768 . . . . 0.0 110.954 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.594 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 14.1 t -121.05 124.32 44.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 108.287 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.404 ' HA ' ' HA ' ' A' ' 17' ' ' SER . 2.5 tt0 -99.87 123.32 44.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.259 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -93.16 -169.65 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.98 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.459 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . 3.0 tt0 -115.12 -14.63 11.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -129.95 132.18 46.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.351 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.432 ' CG ' ' HB3' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -62.55 -45.61 92.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 110.27 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -59.9 -37.38 79.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 53.1 m -65.5 -43.71 89.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.404 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.63 -39.19 93.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.413 ' HG ' ' N ' ' A' ' 72' ' ' SER . 0.1 OUTLIER -68.95 -48.5 63.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.428 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 1.4 t -60.03 -37.46 79.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.999 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.479 ' CA ' HG13 ' A' ' 39' ' ' VAL . . . -66.69 -38.85 87.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.523 ' O ' ' CB ' ' A' ' 78' ' ' ASN . 3.3 mtp -64.57 -46.5 82.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.949 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -77.68 -25.63 49.63 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.428 ' CB ' ' O ' ' A' ' 72' ' ' SER . 68.7 m-20 -76.19 -36.07 58.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 78' ' ' ASN . 9.9 mp -102.08 -91.45 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.523 ' CB ' ' O ' ' A' ' 74' ' ' MET . 1.6 t-20 37.29 89.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 73.24 33.11 59.43 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.92 121.21 26.21 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.459 0.74 . . . . 0.0 110.334 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.4 139.78 52.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.568 ' CE2' HG12 ' A' ' 35' ' ' ILE . 29.9 t80 -179.07 117.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.455 ' CB ' ' O ' ' A' ' 82' ' ' PHE . 0.2 OUTLIER 82.26 13.31 0.54 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.983 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 90.61 16.2 55.41 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 110.952 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -149.48 153.92 38.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 0.79 . . . . 0.0 110.297 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.49 136.93 34.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.261 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.57 ' CD2' ' CG1' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -90.28 93.6 9.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.06 102.08 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 25.4 t -109.33 122.49 64.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.537 ' OD2' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -139.9 138.88 36.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.455 ' N ' ' SD ' ' A' ' 74' ' ' MET . 1.5 t30 -44.7 125.44 4.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -65.5 -11.8 46.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -91.99 26.54 2.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.9 151.08 30.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.996 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -63.92 -36.83 85.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 110.321 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.35 -33.87 32.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.346 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.421 ' ND2' ' HB3' ' A' ' 19' ' ' PHE . 5.0 m-20 -72.23 -19.9 61.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.41 -39.08 91.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 109.25 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -65.09 -39.16 92.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.292 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.59 -42.75 67.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.57 ' HG ' ' CZ ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -62.91 -32.87 74.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 109.254 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -52.57 -28.56 21.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.5 m -85.49 -36.93 20.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.988 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.3 tp -79.45 -7.54 58.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 101' ' ' LEU . . . -90.91 63.43 2.85 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.434 ' CG2' ' N ' ' A' ' 107' ' ' GLY . 1.9 m -145.37 167.11 23.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 0.786 . . . . 0.0 110.419 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.434 ' N ' ' CG2' ' A' ' 106' ' ' THR . . . -47.01 -72.18 0.44 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.498 1.124 . . . . 0.0 111.034 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 50.69 71.55 1.51 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.512 0.772 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -179.45 5.0 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 0.0 110.983 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 35.8 m -122.57 145.89 28.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.416 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 8.8 t0 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.453 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 18.4 Cg_endo -75.02 -89.46 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.532 1.806 . . . . 0.0 111.047 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.453 ' CB ' ' O ' ' A' ' 9' ' ' PRO . . . 165.35 100.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.7 t -69.76 -32.79 53.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.43 -34.93 73.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -36.97 83.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.04 -40.17 94.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.004 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.436 ' CB ' ' NE2' ' A' ' 67' ' ' GLN . 1.0 OUTLIER -69.44 -13.73 62.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.127 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.523 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 22.2 mtm-85 -89.37 -65.24 1.04 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.348 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.514 ' O ' ' CB ' ' A' ' 92' ' ' ALA . 2.4 p -34.13 120.34 0.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.971 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.558 ' CG2' ' CG1' ' A' ' 89' ' ' VAL . 5.0 p -116.21 123.9 71.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.595 ' CD1' ' OD2' ' A' ' 90' ' ' ASP . 0.6 OUTLIER -77.4 143.85 38.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 111.016 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.465 HG12 ' CD1' ' A' ' 23' ' ' ILE . 59.6 t -134.23 132.95 55.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -141.09 -170.89 12.35 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.528 1.143 . . . . 0.0 111.03 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.405 ' ND2' ' HG2' ' A' ' 85' ' ' ARG . 2.4 t30 54.6 32.86 17.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 0.729 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.465 ' CD1' HG12 ' A' ' 20' ' ' VAL . 2.8 mt -96.28 127.24 41.02 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 159.04 41.71 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.498 1.788 . . . . 0.0 111.0 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -63.13 -11.33 19.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.11 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -91.56 -9.73 43.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.46 ' HB3' ' CG2' ' A' ' 23' ' ' ILE . . . -108.88 94.9 5.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.4 p -90.43 174.48 7.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.425 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.403 ' OE2' ' O ' ' A' ' 45' ' ' PHE . 7.9 mt-10 -57.69 -30.21 65.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 110.336 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -60.51 -33.64 72.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -89.37 -44.89 9.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.431 HD13 ' N ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -56.89 -49.12 76.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.51 ' CG ' ' CG2' ' A' ' 42' ' ' VAL . 1.6 ttpt -60.98 -38.07 84.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -64.86 -38.69 91.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.424 HD11 ' CE1' ' A' ' 82' ' ' PHE . 7.6 mt -68.06 -46.98 80.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.486 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 1.0 OUTLIER -68.43 -27.22 65.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 111.014 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.433 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 31.3 p -60.75 -40.3 91.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.016 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -70.29 -14.09 62.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.286 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.456 ' CG1' ' HA ' ' A' ' 73' ' ' ALA . 3.0 t -105.47 7.24 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.433 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 137.58 163.37 9.64 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.544 1.153 . . . . 0.0 111.068 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 117.85 5.06 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.5 1.789 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.51 ' CG2' ' CG ' ' A' ' 33' ' ' LYS . 18.1 m -87.29 127.37 40.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.465 ' CG2' ' HG3' ' A' ' 65' ' ' GLN . 69.0 t -72.2 -56.57 9.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.7 167.06 25.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.008 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.624 ' CE1' ' CD2' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -159.67 118.55 2.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.15 131.04 34.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.324 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.624 ' CD2' ' CE1' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -109.43 175.42 5.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.573 HG23 ' CD2' ' A' ' 59' ' ' TYR . 4.2 m -88.18 121.67 38.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 0.9 OUTLIER -126.24 118.94 26.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 54' ' ' GLY . 45.0 m-20 -71.43 109.45 5.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.413 ' NH1' ' HB2' ' A' ' 51' ' ' ARG . 19.5 mtm105 -73.03 -30.38 63.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.307 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -71.24 -31.65 67.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.293 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.9 p -107.7 -3.09 19.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 110.321 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 49.7 20.57 2.87 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.5 1.125 . . . . 0.0 110.962 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -117.93 145.14 36.03 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.445 0.732 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . 18.3 Cg_endo -75.02 137.85 22.21 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.523 1.802 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 59' ' ' TYR . 0.3 OUTLIER -58.47 -57.6 12.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 139.09 -17.77 3.16 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.573 ' CD2' HG23 ' A' ' 48' ' ' VAL . 37.8 p90 -125.67 157.08 38.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.776 . . . . 0.0 111.049 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.469 ' HA3' ' CD2' ' A' ' 47' ' ' LEU . . . -160.71 -175.99 32.32 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.566 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 70.3 m-85 -131.85 136.93 47.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 0.797 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.576 ' HB2' ' CE1' ' A' ' 45' ' ' PHE . 12.1 t -114.8 124.59 52.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 108.291 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -98.7 122.57 42.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.586 ' CE1' ' CG2' ' A' ' 69' ' ' THR . 2.3 m-85 -92.13 -166.96 1.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.465 ' HG3' ' CG2' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -111.62 -12.63 13.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.266 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.7 133.07 23.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.436 ' NE2' ' CB ' ' A' ' 15' ' ' LEU . 7.3 tt0 -56.54 -35.72 68.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.321 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -61.21 -37.06 81.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.586 ' CG2' ' CE1' ' A' ' 64' ' ' TYR . 98.8 m -68.38 -42.88 78.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.376 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 16' ' ' ARG . . . -65.59 -40.01 92.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.252 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.9 mt -70.51 -46.15 64.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.356 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.452 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 47.8 t -61.45 -38.87 88.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.456 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . . . -66.56 -38.18 86.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.532 ' O ' ' CB ' ' A' ' 78' ' ' ASN . 0.9 OUTLIER -62.92 -46.9 85.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.999 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.78 -24.85 48.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.258 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 72' ' ' SER . 21.5 m-20 -74.86 -35.93 62.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.496 ' O ' ' C ' ' A' ' 78' ' ' ASN . 9.7 mp -103.71 -93.48 0.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.532 ' CB ' ' O ' ' A' ' 74' ' ' MET . 6.2 t30 32.37 82.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 92.5 33.31 7.61 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -90.84 120.11 31.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 110.269 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -65.9 139.5 58.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.311 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.493 ' O ' ' CB ' ' A' ' 83' ' ' SER . 39.4 t80 -178.92 121.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 82' ' ' PHE . 2.3 t 84.9 17.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.025 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.26 5.91 86.77 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.405 ' HG2' ' ND2' ' A' ' 22' ' ' ASN . 0.0 OUTLIER -126.93 -152.97 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 0.755 . . . . 0.0 110.3 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -130.26 146.63 51.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.251 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.63 96.1 6.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.415 ' O ' ' HA ' ' A' ' 20' ' ' VAL . 47.1 mtt-85 -81.77 127.55 33.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.558 ' CG1' ' CG2' ' A' ' 18' ' ' VAL . 57.3 t -125.95 130.14 72.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.595 ' OD2' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -140.18 154.45 46.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.341 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.443 ' OD1' ' CE ' ' A' ' 74' ' ' MET . 0.8 OUTLIER -60.58 122.67 15.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -61.78 -14.11 29.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -91.33 22.23 4.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.2 t -79.67 150.37 30.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.007 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -67.99 -32.01 72.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.311 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.8 pttt -81.03 -34.5 32.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.437 ' ND2' ' CB ' ' A' ' 19' ' ' PHE . 5.8 m-20 -72.66 -19.71 61.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.25 -32.62 74.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.19 -41.7 85.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -71.59 -43.01 67.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.566 ' HG ' ' CZ ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -62.93 -32.9 74.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 29.2 tttt -55.25 -28.88 56.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.7 m -85.5 -34.35 21.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.977 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.459 ' CD1' HG13 ' A' ' 48' ' ' VAL . 7.0 tp -79.51 1.01 27.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -79.15 -62.24 2.24 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.539 1.149 . . . . 0.0 110.95 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.5 t -95.13 126.1 40.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 110.426 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 172.97 -144.0 7.59 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.531 1.145 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -162.55 160.97 20.24 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 165.79 30.61 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.484 1.781 . . . . 0.0 110.998 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.6 p -137.46 151.46 26.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.9 tt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.435 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 13.2 t0 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.435 ' HD3' ' N ' ' A' ' 8' ' ' ASP . 18.2 Cg_endo -75.04 -162.52 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.487 1.782 . . . . 0.0 110.98 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -145.95 71.02 1.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 33.7 t -69.95 -32.88 53.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.36 -42.87 92.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.6 ttt-85 -66.22 -41.11 90.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.91 -32.4 73.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.985 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.457 ' HB3' ' CG ' ' A' ' 67' ' ' GLN . 0.1 OUTLIER -69.1 -18.08 63.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -99.58 50.83 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.239 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.511 ' O ' ' CB ' ' A' ' 92' ' ' ALA . 35.2 m -164.51 123.96 1.92 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.437 ' CG1' ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -119.84 125.6 74.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.572 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 15.9 t80 -77.78 129.39 35.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.47 ' CG1' HD11 ' A' ' 23' ' ' ILE . 2.1 t -121.79 132.91 69.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -136.1 -167.84 11.34 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 51.34 30.52 6.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 0.749 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.473 ' CG2' ' HB3' ' A' ' 27' ' ' ALA . 1.2 mt -98.06 114.44 65.11 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 176.46 9.88 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.505 1.792 . . . . 0.0 111.055 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.571 ' CE2' ' HD2' ' A' ' 56' ' ' PRO . 3.9 m-85 -73.18 -3.07 24.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 111.019 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -91.53 -9.89 42.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.473 ' HB3' ' CG2' ' A' ' 23' ' ' ILE . . . -116.42 96.69 5.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.2 p -90.55 173.82 7.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.363 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.456 ' HG3' ' CD1' ' A' ' 47' ' ' LEU . 14.8 mt-10 -57.94 -31.32 66.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -63.77 -33.26 75.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -84.53 -44.72 13.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.471 ' CD2' HD11 ' A' ' 87' ' ' LEU . 16.4 mt -58.95 -49.21 78.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.462 ' CG ' HG21 ' A' ' 42' ' ' VAL . 2.2 ttpt -57.4 -37.84 73.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.118 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.1 -36.49 82.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.517 HD11 ' CE2' ' A' ' 82' ' ' PHE . 10.9 mt -67.97 -48.25 75.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.482 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 1.7 m-85 -69.48 -27.94 65.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.499 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -61.86 -33.08 73.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.987 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -69.8 -13.63 62.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.494 ' CG1' ' HA ' ' A' ' 73' ' ' ALA . 40.2 t -104.87 -1.01 9.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.499 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 138.75 173.22 12.89 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 118.77 5.38 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.474 1.776 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.482 ' CG1' ' HB3' ' A' ' 36' ' ' PHE . 3.1 m -85.74 148.01 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.469 HG23 ' CA ' ' A' ' 65' ' ' GLN . 2.3 t -83.48 -49.99 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.64 166.76 13.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.963 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.682 ' CE1' ' CD2' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -149.74 117.8 6.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.6 mtm-85 -125.42 131.88 52.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.682 ' CD2' ' CE1' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -117.85 171.24 8.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.574 HG23 ' CE2' ' A' ' 59' ' ' TYR . 3.1 m -86.32 121.78 37.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.553 ' CE1' ' HB3' ' A' ' 56' ' ' PRO . 0.9 OUTLIER -124.93 118.92 27.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 111.021 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 54' ' ' GLY . 68.5 m-20 -71.08 109.13 4.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.097 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -73.01 -29.89 63.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.288 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -71.02 -32.33 69.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.323 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.6 m -106.72 -4.38 19.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.429 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 53.9 17.5 7.24 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.539 1.149 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.7 mmtm -117.93 145.5 36.88 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.553 0.796 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.571 ' HD2' ' CE2' ' A' ' 25' ' ' TYR . 18.2 Cg_endo -74.95 137.59 22.04 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.492 1.785 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.485 ' HB2' ' CG2' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -53.84 -58.29 7.8 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 140.56 -17.01 2.87 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.452 1.095 . . . . 0.0 111.021 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.574 ' CE2' HG23 ' A' ' 48' ' ' VAL . 52.1 p90 -125.25 157.77 35.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 0.749 . . . . 0.0 110.973 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -164.67 -173.67 33.56 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.472 1.107 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.578 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 65.8 m-85 -132.2 145.72 51.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 0.778 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.596 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 11.6 t -121.93 124.45 44.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 108.312 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.41 ' HA ' ' HA ' ' A' ' 17' ' ' SER . 4.4 tt0 -100.2 127.26 46.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.522 ' CD1' HG23 ' A' ' 69' ' ' THR . 4.4 m-85 -98.54 -173.67 2.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 111.031 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.469 ' CA ' HG23 ' A' ' 43' ' ' VAL . 3.1 tm0? -113.83 -15.21 12.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -130.41 134.13 46.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.457 ' CG ' ' HB3' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -59.29 -47.99 83.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.257 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -60.68 -36.68 79.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.338 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.522 HG23 ' CD1' ' A' ' 64' ' ' TYR . 53.8 m -64.3 -44.56 91.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.402 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.497 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . . . -67.71 -40.44 84.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.7 mt -67.67 -38.6 83.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.453 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 36.7 m -65.63 -38.25 88.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.13 . . . . 0.0 109.999 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.494 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . . . -66.45 -38.72 87.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.527 ' O ' ' CB ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -63.45 -46.74 84.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 111.047 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.66 -25.77 49.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 72' ' ' SER . 0.9 OUTLIER -75.79 -35.2 60.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.335 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.487 ' CD1' ' O ' ' A' ' 73' ' ' ALA . 6.0 mp -104.42 -91.05 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.527 ' CB ' ' O ' ' A' ' 74' ' ' MET . 0.8 OUTLIER 39.47 90.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 61.03 40.75 98.94 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.1 131.3 34.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.752 . . . . 0.0 110.326 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.65 132.1 47.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.26 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.517 ' CE2' HD11 ' A' ' 35' ' ' ILE . 2.4 t80 -152.67 -56.52 0.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.107 . . . . 0.0 111.032 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.473 ' N ' ' CD1' ' A' ' 82' ' ' PHE . 5.9 m -85.19 18.0 2.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.068 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 90.19 5.94 69.58 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.7 mtm-85 -129.98 -91.85 0.45 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 0.775 . . . . 0.0 110.315 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -179.21 142.37 0.18 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.471 HD11 ' CD2' ' A' ' 32' ' ' LEU . 7.9 mt -105.38 93.66 4.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 61.8 mtt85 -62.89 119.77 10.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.316 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 24.5 t -125.55 125.93 69.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -139.23 154.55 48.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -57.83 129.3 41.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -68.16 -9.58 47.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 109.26 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -96.89 19.34 12.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.426 ' HB3' ' ND2' ' A' ' 97' ' ' ASN . 5.3 t -79.76 152.31 29.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.022 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -59.92 -37.13 78.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -81.82 -26.58 34.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.451 ' OD1' ' CB ' ' A' ' 19' ' ' PHE . 1.4 m-80 -71.99 -22.57 61.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.6 mttp -68.26 -35.85 78.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.83 -42.57 90.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.26 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.58 -43.01 67.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.334 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.578 ' HG ' ' CZ ' ' A' ' 61' ' ' PHE . 0.4 OUTLIER -61.6 -32.88 73.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.1 tttt -54.06 -32.36 54.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.5 m -86.26 -24.14 26.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.998 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.457 ' CD2' ' CG1' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -78.88 -9.52 59.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 91.84 107.24 1.56 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 81.9 p -39.64 126.38 1.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 0.781 . . . . 0.0 110.374 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -37.89 122.53 1.1 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.496 1.122 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 77.33 89.56 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 0.771 . . . . 0.0 109.288 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 88.2 1.25 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.545 1.813 . . . . 0.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.479 ' O ' ' CG2' ' A' ' 111' ' ' ILE . 21.5 m -137.47 147.04 26.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.479 ' CG2' ' O ' ' A' ' 110' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.405 ' OD2' ' O ' ' A' ' 9' ' ' PRO . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.405 ' O ' ' OD2' ' A' ' 8' ' ' ASP . 18.5 Cg_endo -74.99 -162.09 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.475 1.776 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -161.2 86.78 0.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 109.266 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 38.8 t -69.57 -32.91 54.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.99 -35.0 74.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -58.27 -36.33 73.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.62 -40.22 91.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.979 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.541 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -70.24 -13.04 62.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.2 mtm-85 -112.17 75.42 0.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.464 ' HB3' ' CB ' ' A' ' 92' ' ' ALA . 0.1 OUTLIER 175.37 143.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.953 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.424 ' CG1' ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -125.06 125.93 70.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.521 ' CE1' ' OE2' ' A' ' 100' ' ' GLU . 21.5 t80 -74.72 129.41 37.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.481 ' CG1' HD12 ' A' ' 87' ' ' LEU . 1.8 t -115.37 133.25 62.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -145.52 -179.67 21.96 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.6 t30 61.75 32.09 18.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 0.736 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.473 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 2.2 mt -98.77 140.55 21.85 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.03 -162.47 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.556 1.819 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -97.5 -26.69 14.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.12 -9.54 58.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.148 . . . . 0.0 110.351 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -102.87 94.02 5.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.2 p -89.81 174.36 7.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 110.379 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.465 ' HG3' ' CD2' ' A' ' 47' ' ' LEU . 25.2 mt-10 -57.63 -31.57 66.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.82 -33.65 75.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -84.62 -44.41 13.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.453 ' HA ' ' CD1' ' A' ' 35' ' ' ILE . 20.1 mt -57.97 -49.53 76.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.457 ' HG3' ' CG1' ' A' ' 42' ' ' VAL . 1.8 ttpm? -57.27 -38.16 73.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.65 -35.92 81.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.571 HG12 ' CE2' ' A' ' 82' ' ' PHE . 9.1 mt -68.33 -48.41 73.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.461 ' CE2' HG23 ' A' ' 20' ' ' VAL . 15.7 m-85 -68.93 -29.44 67.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 111.035 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.428 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 75.6 p -63.35 -36.74 84.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.985 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -69.66 -12.5 61.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.458 ' CG1' ' HA ' ' A' ' 73' ' ' ALA . 2.5 t -104.01 7.04 10.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.428 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 139.97 -178.37 19.85 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.503 1.127 . . . . 0.0 110.983 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 121.24 6.46 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.508 1.793 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.457 ' CG1' ' HG3' ' A' ' 33' ' ' LYS . 24.4 t -92.37 139.07 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.485 ' CG2' ' HB2' ' A' ' 65' ' ' GLN . 47.4 t -94.19 -70.47 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.88 171.76 14.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.0 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.591 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.5 OUTLIER -166.05 114.63 0.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.99 128.68 40.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.569 HD12 ' CD2' ' A' ' 49' ' ' TYR . 4.1 pp -113.68 178.21 4.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.577 HG21 ' CD2' ' A' ' 59' ' ' TYR . 2.8 m -86.9 121.54 37.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.582 ' CE1' ' HB3' ' A' ' 56' ' ' PRO . 1.1 m-85 -123.45 119.87 31.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.522 ' CB ' ' CG2' ' A' ' 53' ' ' THR . 3.9 m-20 -77.6 110.12 12.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -71.77 -27.01 62.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -68.07 -31.9 71.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.522 ' CG2' ' CB ' ' A' ' 50' ' ' ASP . 8.1 t -111.82 -3.08 15.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.414 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 53.48 17.93 6.78 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.453 1.095 . . . . 0.0 110.964 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -117.82 146.42 38.86 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.46 0.741 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.582 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 18.3 Cg_endo -75.01 137.43 21.69 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.498 1.788 . . . . 0.0 110.964 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.575 ' HB3' ' CE1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -52.86 -58.09 8.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 143.06 -17.27 2.34 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.512 1.132 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.577 ' CD2' HG21 ' A' ' 48' ' ' VAL . 29.4 p90 -125.75 156.51 39.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.76 . . . . 0.0 110.947 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.481 ' HA3' ' CB ' ' A' ' 47' ' ' LEU . . . -165.3 -169.5 29.01 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.498 1.124 . . . . 0.0 111.041 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.554 ' CE2' ' HG ' ' A' ' 101' ' ' LEU . 33.9 m-85 -132.44 137.44 47.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.76 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.591 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 34.1 t -113.69 124.95 53.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 108.281 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -99.13 123.43 43.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.258 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.534 ' CE1' HG22 ' A' ' 69' ' ' THR . 2.0 m-85 -92.61 -167.53 1.77 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.995 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.485 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . 0.3 OUTLIER -113.1 -13.66 13.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 110.33 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -141.12 132.92 27.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.38 -38.35 74.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.86 -38.16 89.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.534 HG22 ' CE1' ' A' ' 64' ' ' TYR . 64.1 m -66.74 -41.28 88.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.375 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.441 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . . . -66.49 -39.19 88.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.418 ' HG ' ' N ' ' A' ' 72' ' ' SER . 0.1 OUTLIER -69.34 -48.55 61.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.601 1.188 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.418 ' N ' ' HG ' ' A' ' 71' ' ' LEU . 7.5 t -59.95 -38.06 81.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.458 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . . . -66.39 -38.23 87.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.498 ' O ' ' CB ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -62.6 -46.58 87.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.995 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -77.44 -25.99 51.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 22.1 m-20 -74.98 -35.22 62.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 78' ' ' ASN . 1.5 mt -103.17 -91.2 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 74' ' ' MET . 2.5 t30 36.01 87.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 79.95 37.56 21.95 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.22 120.91 28.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.72 137.84 58.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.571 ' CE2' HG12 ' A' ' 35' ' ' ILE . 58.0 t80 -167.22 134.71 2.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 111.032 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.12 14.42 5.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.024 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 90.56 16.27 55.36 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 82' ' ' PHE . 11.7 mtt180 -140.71 149.0 41.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 0.787 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -79.74 140.79 36.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.481 HD12 ' CG1' ' A' ' 20' ' ' VAL . 2.2 mm? -100.44 96.26 7.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -71.9 103.08 3.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.317 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.9 t -106.61 122.9 61.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.27 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 91' ' ' ASN . 0.0 OUTLIER -139.61 138.66 36.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 90' ' ' ASP . 1.7 t30 -38.93 120.19 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.464 ' CB ' ' HB3' ' A' ' 17' ' ' SER . . . -59.63 -22.72 62.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -91.47 37.87 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.415 ' HB2' ' ND2' ' A' ' 97' ' ' ASN . 0.4 OUTLIER -86.58 153.78 21.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.97 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -63.92 -36.65 84.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.306 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -81.2 -33.63 32.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.108 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.415 ' ND2' ' HB2' ' A' ' 94' ' ' SER . 63.9 m-20 -72.16 -19.69 61.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.29 -46.04 85.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.352 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.3 -36.93 81.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.521 ' OE2' ' CE1' ' A' ' 19' ' ' PHE . 16.3 tt0 -71.53 -42.04 68.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.268 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.554 ' HG ' ' CE2' ' A' ' 61' ' ' PHE . 0.6 OUTLIER -62.69 -32.79 73.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.56 -29.38 10.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.0 m -85.49 -38.03 19.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.992 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.462 ' CD1' HG13 ' A' ' 48' ' ' VAL . 2.3 tp -79.71 1.2 27.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 106' ' ' THR . . . -90.78 161.8 28.51 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.464 1.102 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 105' ' ' GLY . 82.3 p 44.8 -169.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.757 . . . . 0.0 110.429 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 83.03 -48.44 4.03 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 40.57 81.66 0.24 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.568 0.805 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 169.0 23.59 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.495 1.787 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 11.7 p -120.49 147.94 23.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 8.2 mt . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 163.98 34.3 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.448 1.762 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.65 60.58 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 38.8 t -71.19 -32.79 48.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.36 -34.64 72.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -57.26 -36.84 71.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.488 ' O ' ' CB ' ' A' ' 93' ' ' ALA . 13.3 m -61.4 -32.04 71.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.1 . . . . 0.0 109.954 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.544 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -67.23 -19.81 65.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.454 ' NH2' ' O ' ' A' ' 64' ' ' TYR . 17.4 mtp180 -109.75 -159.11 0.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.503 ' O ' ' CB ' ' A' ' 92' ' ' ALA . 3.5 m 60.54 124.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 110.044 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.443 ' CG1' ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -123.66 125.33 71.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 109.301 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.561 ' CE2' ' HG3' ' A' ' 100' ' ' GLU . 2.0 t80 -77.6 129.23 35.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.491 HG21 ' CZ ' ' A' ' 36' ' ' PHE . 2.6 t -123.75 132.97 70.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -142.39 -173.72 14.47 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.526 1.141 . . . . 0.0 110.967 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.435 ' ND2' ' O ' ' A' ' 86' ' ' ALA . 6.0 t30 61.24 24.92 14.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 0.773 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.467 ' CG2' ' HB2' ' A' ' 27' ' ' ALA . 2.4 mt -96.94 114.73 65.1 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 178.86 6.69 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.476 1.777 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -73.9 -5.87 43.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.423 ' CB ' ' OG ' ' A' ' 83' ' ' SER . 1.8 mm-40 -86.02 -9.73 56.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.336 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.467 ' HB2' ' CG2' ' A' ' 23' ' ' ILE . . . -118.43 99.11 6.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.469 ' O ' ' CD2' ' A' ' 32' ' ' LEU . 14.7 p -90.95 174.05 7.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.45 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.404 ' OE1' ' O ' ' A' ' 45' ' ' PHE . 7.1 mt-10 -58.04 -30.55 66.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.334 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -61.44 -33.35 73.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -89.56 -44.79 9.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.469 ' CD2' ' O ' ' A' ' 28' ' ' THR . 0.2 OUTLIER -57.63 -49.35 76.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.471 ' HD2' ' CG2' ' A' ' 42' ' ' VAL . 13.3 tttp -61.92 -37.41 84.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.89 -39.58 90.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 8.5 mt -67.61 -47.55 79.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.491 ' CZ ' HG21 ' A' ' 20' ' ' VAL . 3.3 m-85 -68.51 -27.78 66.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.978 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.537 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 52.0 m -62.92 -33.05 74.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.993 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -63.93 -15.85 60.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 0.0 110.273 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.485 ' CG1' ' N ' ' A' ' 73' ' ' ALA . 46.7 t -105.34 7.94 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.537 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 127.96 173.2 13.4 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.451 1.094 . . . . 0.0 110.966 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 120.6 6.15 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.519 1.799 . . . . 0.0 111.037 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.528 HG12 ' CE1' ' A' ' 64' ' ' TYR . 2.5 m -85.48 122.49 38.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.478 ' CG2' ' HB2' ' A' ' 65' ' ' GLN . 2.0 t -56.16 -55.94 15.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.87 153.49 16.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.026 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.571 ' CE2' ' HB2' ' A' ' 62' ' ' CYS . 0.5 OUTLIER -136.29 117.9 14.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 111.015 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.25 130.56 53.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.323 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.544 ' N ' ' CD1' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -115.77 167.69 10.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.257 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.583 ' CG2' ' CE2' ' A' ' 59' ' ' TYR . 2.9 m -86.28 121.56 37.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.537 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 2.8 m-85 -123.0 120.25 32.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 111.002 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 54' ' ' GLY . 5.3 m-20 -73.65 107.37 5.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -73.48 -25.94 60.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.77 -31.69 71.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.513 ' CG2' ' HB2' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -111.47 -8.82 14.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.405 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 63.13 17.86 59.58 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.528 1.143 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.513 ' HB2' ' CG2' ' A' ' 53' ' ' THR . 0.7 OUTLIER -118.18 146.24 38.88 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.558 0.799 . . . . 0.0 109.283 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.537 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . 18.3 Cg_endo -75.03 137.57 21.83 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.783 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.565 ' HB3' ' CE1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -52.94 -58.74 5.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 141.03 -17.06 2.76 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.12 . . . . 0.0 111.032 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.583 ' CE2' ' CG2' ' A' ' 48' ' ' VAL . 37.0 p90 -125.86 157.06 38.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 0.753 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -161.56 -174.15 31.08 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.515 1.134 . . . . 0.0 111.037 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.572 ' CE2' ' HG ' ' A' ' 101' ' ' LEU . 87.2 m-85 -131.78 138.08 48.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 0.76 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.571 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 24.2 t -112.44 123.88 51.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 108.277 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.425 ' HA ' ' HA ' ' A' ' 17' ' ' SER . 20.0 tt0 -99.8 123.26 43.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.543 ' CD1' HG22 ' A' ' 69' ' ' THR . 18.8 m-85 -101.38 -173.7 2.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.478 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . 3.2 tp60 -110.7 -29.82 7.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -115.35 131.42 56.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -60.06 -39.95 87.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.332 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.14 -37.54 87.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.543 HG22 ' CD1' ' A' ' 64' ' ' TYR . 72.6 m -65.75 -44.95 84.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.427 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.79 -39.4 84.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.5 mt -67.8 -40.58 83.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 109.352 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.454 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 5.7 t -63.69 -38.63 91.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.485 ' N ' ' CG1' ' A' ' 39' ' ' VAL . . . -66.87 -38.16 85.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.505 ' O ' ' CB ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -64.48 -46.08 84.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 110.978 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.41 -26.16 51.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 72' ' ' SER . 1.0 OUTLIER -75.8 -36.56 59.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.251 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.562 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.4 OUTLIER -101.06 -91.06 0.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 74' ' ' MET . 2.6 t30 37.85 89.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.347 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 69.43 37.15 78.86 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.98 121.09 26.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 0.743 . . . . 0.0 110.269 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.4 137.48 56.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.268 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.483 ' O ' ' CB ' ' A' ' 83' ' ' SER . 38.1 t80 -178.0 116.42 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 82' ' ' PHE . 3.1 t 84.19 13.25 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.036 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 90.71 16.31 55.03 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.422 ' HB3' ' ND2' ' A' ' 22' ' ' ASN . 0.1 OUTLIER -150.14 154.17 37.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 0.793 . . . . 0.0 110.316 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.435 ' O ' ' ND2' ' A' ' 22' ' ' ASN . . . -82.56 138.97 34.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.462 ' CD1' HG12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -95.33 92.65 6.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.29 120.09 10.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 24.9 t -125.66 126.08 69.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -139.24 154.93 48.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.452 ' N ' ' SD ' ' A' ' 74' ' ' MET . 0.5 OUTLIER -60.33 133.78 56.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -68.0 -14.44 62.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 14' ' ' SER . . . -87.49 13.5 9.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.1 m -79.02 139.32 38.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.011 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -59.97 -36.66 77.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.335 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -74.73 -33.91 62.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 91' ' ' ASN . 10.2 m-20 -72.55 -19.16 61.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.05 -29.72 71.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.355 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -67.23 -43.77 81.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.531 1.145 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.561 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 11.0 mm-40 -71.82 -42.99 66.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.357 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.572 ' HG ' ' CE2' ' A' ' 61' ' ' PHE . 0.4 OUTLIER -62.1 -32.83 73.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.67 -31.65 7.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.1 t -85.84 -34.71 20.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.028 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.561 ' CD2' ' CG1' ' A' ' 48' ' ' VAL . 2.1 mm? -79.39 -4.69 52.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 101' ' ' LEU . . . -69.46 166.37 48.66 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.484 1.115 . . . . 0.0 111.064 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.5 t -38.91 111.96 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 110.455 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -123.39 -112.61 2.06 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.544 1.153 . . . . 0.0 111.03 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -136.65 156.03 76.44 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.545 0.791 . . . . 0.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -88.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.466 1.772 . . . . 0.0 110.96 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.416 HG21 ' N ' ' A' ' 111' ' ' ILE . 7.6 p -122.89 151.47 27.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . 0.416 ' N ' HG21 ' A' ' 110' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.623 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 4.0 t0 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 8' ' ' ASP . 18.2 Cg_endo -74.98 -68.69 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.493 1.786 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 9' ' ' PRO . . . 160.56 -26.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.5 t -76.05 -30.64 20.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.42 -34.37 70.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.505 ' C ' ' CD ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -56.94 -35.6 69.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.262 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.432 ' N ' ' HG3' ' A' ' 13' ' ' ARG . 74.3 m -61.31 -40.41 94.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.027 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.482 ' HB3' ' CG ' ' A' ' 67' ' ' GLN . 1.6 mm? -69.41 -14.56 62.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -107.36 69.03 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.297 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.46 ' HA ' ' HA ' ' A' ' 63' ' ' GLU . 10.4 m -177.23 134.53 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.004 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -123.17 125.41 71.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.707 ' CD1' ' CZ ' ' A' ' 61' ' ' PHE . 14.5 t80 -80.12 129.12 34.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.972 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.457 HG13 ' CD1' ' A' ' 23' ' ' ILE . 0.3 OUTLIER -116.09 132.97 64.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.5 ' O ' ' CB ' ' A' ' 22' ' ' ASN . . . -156.77 160.02 30.0 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 21' ' ' GLY . 26.3 t30 81.51 36.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 0.748 . . . . 0.0 109.328 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.492 ' CG2' ' CD2' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -113.05 146.01 34.28 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.437 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.5 Cg_endo -75.0 -162.49 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.781 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -98.6 -24.9 14.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 111.007 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.31 -9.31 46.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -107.79 96.93 6.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.6 p -89.91 174.36 7.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.401 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.407 ' OE1' ' O ' ' A' ' 45' ' ' PHE . 8.4 mt-10 -57.7 -30.75 65.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.04 -33.18 75.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.34 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -87.14 -45.14 10.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.457 ' CD2' HD13 ' A' ' 23' ' ' ILE . 11.0 mp -59.09 -49.08 79.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.446 ' HG3' ' CG1' ' A' ' 42' ' ' VAL . 1.9 tttt -58.0 -37.5 74.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.83 -36.79 80.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.562 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 9.6 mt -68.26 -47.89 76.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.449 ' CE2' ' HB3' ' A' ' 62' ' ' CYS . 3.9 m-85 -68.83 -33.08 73.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.504 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 69.0 m -64.8 -32.88 74.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 110.018 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -64.46 -13.2 50.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.467 ' CG1' ' HA ' ' A' ' 73' ' ' ALA . 7.8 t -104.98 7.12 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.504 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 141.77 -177.31 21.4 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.493 1.121 . . . . 0.0 111.059 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 116.31 4.55 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.529 1.805 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.446 ' CG1' ' HG3' ' A' ' 33' ' ' LYS . 3.3 t -85.94 122.34 38.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.466 ' CG2' ' HB2' ' A' ' 65' ' ' GLN . 16.6 t -77.68 -74.78 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.24 164.84 21.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 110.006 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.59 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.5 OUTLIER -165.36 113.83 1.01 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.992 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.92 135.5 45.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.567 ' CD2' ' CE1' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -112.15 171.16 7.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.573 HG13 ' CE1' ' A' ' 59' ' ' TYR . 3.5 m -86.43 129.48 38.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.514 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 1.3 m-85 -129.6 119.72 24.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 54' ' ' GLY . 1.7 m-20 -71.04 108.44 4.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.418 ' HB3' ' NH1' ' A' ' 51' ' ' ARG . 14.5 mtp-105 -73.72 -30.5 62.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -71.45 -32.42 68.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.5 m -105.79 -4.28 21.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 110.43 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 54.22 17.45 7.91 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt -117.78 145.42 36.51 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.521 0.777 . . . . 0.0 109.263 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.514 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . 18.2 Cg_endo -74.98 137.74 22.17 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.446 1.761 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.479 ' HB2' ' CG2' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -53.73 -57.22 11.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.557 1.16 . . . . 0.0 109.273 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 138.49 -19.45 3.19 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.535 1.147 . . . . 0.0 111.022 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.573 ' CE1' HG13 ' A' ' 48' ' ' VAL . 1.9 p90 -123.04 159.22 28.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.769 . . . . 0.0 110.947 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.445 ' CA ' ' HA ' ' A' ' 47' ' ' LEU . . . -158.83 -171.61 24.87 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.707 ' CZ ' ' CD1' ' A' ' 19' ' ' PHE . 84.0 m-85 -132.2 141.92 49.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 0.795 . . . . 0.0 111.014 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.59 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 36.5 t -124.35 121.33 34.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 108.28 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.46 ' HA ' ' HA ' ' A' ' 17' ' ' SER . 4.7 tt0 -100.2 123.32 44.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.468 ' CD2' ' HA ' ' A' ' 70' ' ' ALA . 18.4 m-85 -93.4 -170.41 2.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.466 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . 4.4 tt0 -113.2 -15.51 12.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.96 131.61 47.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.482 ' CG ' ' HB3' ' A' ' 15' ' ' LEU . 2.2 tm0? -62.32 -44.78 95.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.322 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -59.68 -37.52 79.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.5 m -67.19 -41.21 86.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.411 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.468 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . . . -67.76 -39.79 84.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.5 mt -69.2 -44.29 72.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.451 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 8.7 t -63.05 -37.68 88.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.013 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.467 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . . . -66.89 -37.87 85.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.239 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.506 ' O ' ' CB ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -63.23 -47.29 83.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -78.19 -26.26 47.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 72' ' ' SER . 69.5 m-20 -76.94 -32.15 57.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 78' ' ' ASN . 1.9 mt -105.02 -90.82 0.4 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 74' ' ' MET . 2.1 t-20 37.06 88.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 75.76 38.81 35.73 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.524 1.14 . . . . 0.0 110.949 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.95 120.66 25.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -61.04 135.1 57.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.323 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.562 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 34.6 t80 -171.41 118.59 0.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 111.037 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 82' ' ' PHE . 0.1 OUTLIER 78.76 14.58 1.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.992 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 90.6 16.35 55.15 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.512 1.133 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.3 mtt180 -145.35 153.03 40.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 0.74 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.1 138.65 31.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.492 ' CD2' ' CG2' ' A' ' 23' ' ' ILE . 0.2 OUTLIER -91.69 91.01 7.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.436 ' CB ' ' O ' ' A' ' 21' ' ' GLY . 2.0 ttt180 -62.46 100.7 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 24.2 t -106.48 122.85 60.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 91' ' ' ASN . 0.0 OUTLIER -140.04 139.23 35.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.451 ' O ' ' ND2' ' A' ' 97' ' ' ASN . 1.9 t30 -39.06 130.17 1.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.445 ' CB ' ' HB3' ' A' ' 17' ' ' SER . . . -66.45 -21.68 66.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -89.35 41.3 1.03 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.24 150.44 20.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.978 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -36.55 84.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -81.22 -33.63 32.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.28 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.471 ' ND2' ' CB ' ' A' ' 19' ' ' PHE . 42.1 m-20 -72.19 -21.83 61.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.28 -35.68 81.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -66.57 -39.52 88.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.506 ' HG2' ' CZ ' ' A' ' 59' ' ' TYR . 0.4 OUTLIER -71.64 -43.74 65.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.284 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.58 ' HG ' ' CZ ' ' A' ' 61' ' ' PHE . 0.4 OUTLIER -62.67 -32.87 74.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.4 tptm -56.19 -30.1 61.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.1 m -85.74 -34.14 21.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 110.007 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.459 ' CD1' HG12 ' A' ' 48' ' ' VAL . 6.2 tp -79.45 0.56 28.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -91.68 63.63 2.56 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.3 t -166.94 158.62 12.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 0.767 . . . . 0.0 110.405 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.471 ' O ' ' CB ' ' A' ' 108' ' ' ALA . . . -157.68 167.14 34.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.527 1.142 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.497 ' N ' ' CD ' ' A' ' 109' ' ' PRO . . . 165.05 -53.13 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.505 0.767 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 108' ' ' ALA . 18.2 Cg_endo -75.01 102.29 1.57 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.552 1.817 . . . . 0.0 110.961 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 11.2 p -137.55 148.08 26.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.4 pt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.509 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 8' ' ' ASP . 18.1 Cg_endo -75.01 -81.94 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.502 1.79 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -158.57 62.32 0.43 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 29.3 t -70.23 -32.46 50.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.1 -39.64 82.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.435 1.084 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -40.92 89.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.456 ' HB3' ' CB ' ' A' ' 93' ' ' ALA . 0.6 OUTLIER -64.56 -31.9 73.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 110.006 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.471 ' CB ' ' NE2' ' A' ' 67' ' ' GLN . 0.8 OUTLIER -69.42 -16.74 63.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.113 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.5 mtm-85 -95.96 -65.14 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.262 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.522 ' O ' ' CB ' ' A' ' 92' ' ' ALA . 3.0 p -39.2 116.88 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.023 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.442 ' CG1' ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -111.98 125.05 69.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 109.349 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.405 ' HD1' ' CE1' ' A' ' 61' ' ' PHE . 10.7 t80 -79.36 129.93 34.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.539 HG22 ' CE2' ' A' ' 36' ' ' PHE . 12.4 t -117.89 132.96 66.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -135.57 -175.67 13.96 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 65.0 t30 60.58 26.71 16.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 109.269 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.465 ' CD1' HG11 ' A' ' 20' ' ' VAL . 2.0 mt -98.82 118.15 63.37 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 179.65 5.87 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.479 1.779 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -74.53 -11.19 60.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -83.62 -9.7 58.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.33 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.47 ' HB3' ' CD1' ' A' ' 32' ' ' LEU . . . -110.79 96.06 5.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.1 p -90.13 173.94 7.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.402 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.41 ' CD ' ' O ' ' A' ' 45' ' ' PHE . 4.6 mt-10 -57.7 -30.49 65.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 110.317 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -63.1 -32.96 74.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -87.61 -46.19 9.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 27' ' ' ALA . 10.0 mp -58.29 -49.72 76.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.47 ' CE ' ' HB2' ' A' ' 45' ' ' PHE . 4.3 ttmt -58.18 -37.45 74.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.26 -35.63 78.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.57 HD13 ' CE1' ' A' ' 82' ' ' PHE . 11.1 mt -67.86 -48.67 74.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.539 ' CE2' HG22 ' A' ' 20' ' ' VAL . 0.8 OUTLIER -69.75 -29.74 67.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.993 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 97.5 p -63.16 -33.03 74.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.963 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.42 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 12.9 tt0 -64.45 -12.38 42.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.475 HG11 ' CA ' ' A' ' 73' ' ' ALA . 2.5 t -103.78 7.43 9.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.408 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 132.11 -171.41 21.43 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 113.46 3.8 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.467 1.772 . . . . 0.0 110.989 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.463 ' CG1' ' HG3' ' A' ' 33' ' ' LYS . 4.5 p -85.87 122.14 38.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.456 ' CG2' ' C ' ' A' ' 64' ' ' TYR . 84.4 t -65.52 -70.54 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 t -151.83 160.85 43.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.005 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.596 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.7 OUTLIER -142.91 115.98 8.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.1 134.36 54.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.292 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.537 ' N ' ' CD1' ' A' ' 47' ' ' LEU . 0.0 OUTLIER -123.17 168.63 12.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.575 HG22 ' CE2' ' A' ' 59' ' ' TYR . 4.0 m -86.12 121.4 37.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.556 ' CE1' ' HB3' ' A' ' 56' ' ' PRO . 1.3 m-85 -125.07 119.18 27.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.97 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 54' ' ' GLY . 0.2 OUTLIER -72.16 108.99 5.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.5 mtt85 -73.02 -29.98 63.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.265 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.95 -32.0 68.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.28 -3.27 19.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.384 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 50.96 19.46 3.57 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.456 1.098 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.01 144.97 35.75 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.509 0.77 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.556 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 18.3 Cg_endo -74.97 137.6 22.01 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.477 1.778 . . . . 0.0 111.011 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.496 ' CB ' HG21 ' A' ' 48' ' ' VAL . 3.9 mmtt -56.97 -58.27 8.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 137.17 -15.64 3.7 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.536 1.147 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.575 ' CE2' HG22 ' A' ' 48' ' ' VAL . 52.6 p90 -125.85 158.02 36.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 0.749 . . . . 0.0 111.02 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.4 ' HA3' ' HA ' ' A' ' 47' ' ' LEU . . . -169.12 -170.73 34.07 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.133 . . . . 0.0 110.994 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.572 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 55.2 m-85 -131.96 137.26 47.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 0.781 . . . . 0.0 110.925 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.596 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 7.9 t -113.51 122.34 46.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 108.297 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -99.24 127.85 45.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 110.283 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.456 ' C ' ' CG2' ' A' ' 43' ' ' VAL . 7.3 m-85 -97.36 -169.68 1.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 110.979 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.436 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . 9.1 tt0 -105.88 -20.03 13.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -135.83 132.68 36.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.471 ' NE2' ' CB ' ' A' ' 15' ' ' LEU . 7.2 tt0 -57.2 -37.5 72.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.311 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -38.12 89.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.1 m -68.05 -41.79 81.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.411 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.06 -39.43 82.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 mt -69.25 -43.59 73.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.143 . . . . 0.0 109.317 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.453 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 3.9 m -63.13 -38.39 90.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.043 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.475 ' CA ' HG11 ' A' ' 39' ' ' VAL . . . -66.66 -38.14 86.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.525 ' O ' ' CB ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -62.98 -47.1 84.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 111.018 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 45.0 ttt-85 -77.72 -25.38 49.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 72' ' ' SER . 1.0 OUTLIER -76.83 -32.92 57.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.332 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.465 ' CD1' HG22 ' A' ' 39' ' ' VAL . 6.8 mp -106.41 -92.54 0.39 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.525 ' CB ' ' O ' ' A' ' 74' ' ' MET . 2.4 t30 37.35 86.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.82 35.73 24.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.442 1.089 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.4 121.09 29.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 0.79 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.24 140.7 55.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.57 ' CE1' HD13 ' A' ' 35' ' ' ILE . 40.1 t80 -170.72 120.04 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.75 15.46 4.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.157 . . . . 0.0 110.01 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 90.63 16.28 55.23 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.474 1.108 . . . . 0.0 110.988 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 82' ' ' PHE . 2.7 mmp_? -141.33 149.39 41.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 0.756 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.39 136.09 34.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.525 ' CD2' ' CG1' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -92.09 91.67 7.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.13 98.95 0.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.338 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.404 ' C ' ' OD1' ' A' ' 90' ' ' ASP . 46.0 t -106.87 120.89 58.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.45 ' N ' ' OD1' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -141.8 154.17 45.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -45.91 117.77 1.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.522 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -62.66 -13.49 32.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.456 ' CB ' ' HB3' ' A' ' 14' ' ' SER . . . -98.91 36.44 1.69 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.68 154.97 28.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.975 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -67.94 -36.62 80.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -77.45 -33.74 54.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.521 ' OD1' ' CD1' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -69.74 -16.33 63.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -30.37 68.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 109.31 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.69 -39.46 73.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.404 ' OE1' ' CE1' ' A' ' 19' ' ' PHE . 7.1 mt-10 -72.34 -44.09 63.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.572 ' HG ' ' CZ ' ' A' ' 61' ' ' PHE . 3.2 mt -61.24 -37.98 84.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -44.84 -30.99 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.83 -36.47 20.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.953 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.461 HD13 ' CG1' ' A' ' 48' ' ' VAL . 2.4 tp -84.46 7.6 19.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 101' ' ' LEU . . . -40.69 118.95 1.28 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.483 1.115 . . . . 0.0 110.963 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 67.0 p 38.72 -96.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 0.787 . . . . 0.0 110.426 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 105' ' ' GLY . . . 83.81 -164.48 41.11 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.482 1.113 . . . . 0.0 110.975 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -176.45 88.57 0.27 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.548 0.793 . . . . 0.0 109.283 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 139.74 24.61 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.513 1.796 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 11.8 p -120.49 138.95 49.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.1 pt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.498 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 8' ' ' ASP . 18.2 Cg_endo -75.01 -161.46 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.488 1.783 . . . . 0.0 110.97 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.39 49.27 1.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.481 ' CG2' ' HG2' ' A' ' 9' ' ' PRO . 47.7 t -73.21 -32.97 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.74 -34.99 69.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 -57.45 -36.95 72.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.282 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.32 -34.17 74.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 110.012 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.47 ' HB3' ' CG ' ' A' ' 67' ' ' GLN . 0.2 OUTLIER -69.34 -15.99 63.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 17' ' ' SER . 30.0 mtp180 -100.86 -66.1 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' ' 92' ' ' ALA . 19.5 m -36.56 114.67 0.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.981 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.459 HG13 ' CB ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -111.04 124.96 68.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.482 ' CE1' ' HB2' ' A' ' 59' ' ' TYR . 26.5 t80 -75.9 129.07 36.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 111.029 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.57 HG23 ' CZ ' ' A' ' 36' ' ' PHE . 2.2 t -113.57 133.26 60.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -137.73 -176.08 14.25 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.55 1.156 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 31.1 t30 63.02 21.74 13.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 0.0 109.271 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.451 ' CG2' ' HB1' ' A' ' 27' ' ' ALA . 3.3 mt -95.48 114.43 63.88 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 109.343 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 175.55 11.08 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.492 1.785 . . . . 0.0 110.95 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -72.48 -3.1 22.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.961 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -91.54 -9.71 43.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.451 ' HB1' ' CG2' ' A' ' 23' ' ' ILE . . . -119.13 100.25 7.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.424 ' O ' ' CD2' ' A' ' 32' ' ' LEU . 10.4 p -90.53 174.28 7.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.167 . . . . 0.0 110.411 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.468 ' HG3' ' CD2' ' A' ' 47' ' ' LEU . 2.9 mt-10 -57.97 -29.93 65.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -60.5 -33.64 72.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -90.25 -45.15 9.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.424 ' CD2' ' O ' ' A' ' 28' ' ' THR . 0.2 OUTLIER -56.98 -48.86 77.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -61.29 -37.83 84.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -64.99 -39.98 94.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.574 HD12 ' CZ ' ' A' ' 82' ' ' PHE . 6.6 mt -68.16 -46.34 81.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.576 ' CD2' ' OH ' ' A' ' 64' ' ' TYR . 3.6 m-85 -67.4 -29.25 68.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.428 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 52.8 p -63.24 -38.15 90.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.027 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -64.75 -12.31 45.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.463 ' CG1' ' HA ' ' A' ' 73' ' ' ALA . 2.0 t -103.77 7.52 9.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.428 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 136.58 -177.78 19.38 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 122.9 7.52 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.792 . . . . 0.0 110.999 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.0 t -89.53 122.44 40.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.262 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.1 t -80.04 -68.71 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.437 1.086 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.42 169.81 16.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.972 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.599 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.6 OUTLIER -171.07 113.63 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.9 mmt85 -130.84 134.0 46.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 110.256 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.468 ' CD2' ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -110.61 167.34 10.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.569 HG21 ' CD2' ' A' ' 59' ' ' TYR . 3.7 m -86.48 121.41 37.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.531 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 1.2 m-85 -123.45 119.12 29.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 111.049 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 54' ' ' GLY . 73.8 m-20 -70.88 108.65 4.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 -73.22 -29.85 63.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.286 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -70.92 -32.18 69.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.36 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.474 HG23 ' CD ' ' A' ' 55' ' ' LYS . 5.3 m -106.76 -4.51 19.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.413 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 54.53 17.07 7.89 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.474 ' CD ' HG23 ' A' ' 53' ' ' THR . 4.3 mttp -118.0 145.44 36.82 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.531 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . 18.4 Cg_endo -75.02 137.73 22.05 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.466 1.772 . . . . 0.0 111.03 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.558 ' HB3' ' CE1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -54.29 -57.65 10.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 139.17 -16.82 3.19 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.473 1.108 . . . . 0.0 111.044 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.569 ' CD2' HG21 ' A' ' 48' ' ' VAL . 40.8 p90 -125.54 156.95 38.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.567 0.804 . . . . 0.0 110.98 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -158.02 -171.08 23.5 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.451 1.095 . . . . 0.0 111.03 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.576 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 96.5 m-85 -132.48 137.91 47.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 0.0 111.014 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.599 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 38.7 t -118.77 120.51 37.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 108.308 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.405 ' OE2' ' NH2' ' A' ' 16' ' ' ARG . 0.9 OUTLIER -100.29 123.36 44.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.576 ' OH ' ' CD2' ' A' ' 36' ' ' PHE . 32.1 m-85 -98.33 -170.53 1.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 111.03 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.411 ' CG ' ' N ' ' A' ' 66' ' ' ASP . 9.9 pt20 -100.54 -43.18 6.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.411 ' N ' ' CG ' ' A' ' 65' ' ' GLN . 0.2 OUTLIER -101.82 140.1 36.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.47 ' CG ' ' HB3' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -64.86 -48.15 75.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -60.92 -37.17 81.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 87.4 m -66.64 -42.35 86.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.434 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.14 -39.7 82.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.443 ' HA ' ' CE ' ' A' ' 74' ' ' MET . 0.3 OUTLIER -69.61 -40.95 76.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.449 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 24.0 p -67.77 -37.94 82.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.994 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.493 ' O ' ' CD1' ' A' ' 77' ' ' LEU . . . -66.72 -37.34 84.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.492 ' HA ' ' CG1' ' A' ' 89' ' ' VAL . 0.3 OUTLIER -66.36 -46.79 75.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.443 ' N ' ' HG2' ' A' ' 74' ' ' MET . 0.0 OUTLIER -76.75 -27.02 55.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.3 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 72' ' ' SER . 74.1 m-20 -77.34 -35.75 54.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.567 HD23 ' CE1' ' A' ' 36' ' ' PHE . 1.2 mt -86.19 -40.82 15.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.57 1.169 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.468 ' CB ' ' O ' ' A' ' 74' ' ' MET . 11.3 t-20 -53.97 90.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . 115.25 23.06 4.64 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.469 1.105 . . . . 0.0 110.996 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -106.12 120.46 41.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 0.796 . . . . 0.0 110.283 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -71.05 138.61 49.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.574 ' CZ ' HD12 ' A' ' 35' ' ' ILE . 39.8 t80 -170.22 149.95 3.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 52.92 21.77 2.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.98 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.42 16.05 78.76 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.461 1.101 . . . . 0.0 111.005 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 22.0 mtt180 -145.68 152.73 40.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 0.752 . . . . 0.0 110.314 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.55 149.48 44.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.41 ' O ' ' O ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -109.04 99.27 8.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.334 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 20.5 mtp180 -88.61 122.78 32.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.492 ' CG1' ' HA ' ' A' ' 74' ' ' MET . 6.5 t -125.63 127.91 71.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -139.04 146.6 41.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.44 ' O ' ' ND2' ' A' ' 97' ' ' ASN . 1.4 t30 -42.0 128.83 3.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -70.06 -8.12 46.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -92.31 26.97 2.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.421 ' HB2' ' ND2' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -79.87 152.02 29.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.025 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.436 ' CA ' ' OE1' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -59.98 -36.66 77.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.351 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.25 -33.48 32.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 91' ' ' ASN . 78.8 m-20 -72.0 -19.79 61.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.74 -46.18 72.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -62.0 -35.74 79.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.547 ' HG2' ' CE2' ' A' ' 59' ' ' TYR . 1.2 tp10 -71.56 -42.65 67.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.576 ' HG ' ' CZ ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -62.8 -32.95 74.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.3 mttp -51.74 -29.05 17.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.5 t -85.58 -38.15 18.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.979 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.47 HD12 ' CG1' ' A' ' 48' ' ' VAL . 2.8 tp -79.42 -3.49 46.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 101' ' ' LEU . . . -47.97 169.95 0.07 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.509 1.13 . . . . 0.0 111.033 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 10.1 t -100.92 160.67 14.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 0.747 . . . . 0.0 110.433 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 173.23 -93.51 0.1 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.534 1.146 . . . . 0.0 111.046 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -141.78 68.74 24.46 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -45.76 0.27 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.517 1.798 . . . . 0.0 110.982 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.7 p -128.72 142.65 43.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 16.7 pt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.954 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.563 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.563 ' HD3' ' CB ' ' A' ' 8' ' ' ASP . 18.3 Cg_endo -75.03 88.5 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.462 1.77 . . . . 0.0 110.979 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.03 5.55 32.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 38.8 t -70.98 -31.8 46.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.494 ' CG ' ' N ' ' A' ' 13' ' ' ARG . 1.5 p30 -65.52 -52.9 49.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.494 ' N ' ' CG ' ' A' ' 12' ' ' ASP . 5.8 mtp180 -58.34 -36.75 73.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.75 -40.64 95.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.985 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.501 ' CB ' ' CD ' ' A' ' 67' ' ' GLN . 2.2 mt -70.21 -13.1 62.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.0 mtm-85 -105.11 49.33 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.254 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.508 ' O ' ' CB ' ' A' ' 92' ' ' ALA . 12.2 p -168.4 120.57 0.82 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.985 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.42 ' CG1' ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -116.14 125.8 73.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.557 ' CZ ' ' OE1' ' A' ' 100' ' ' GLU . 30.7 t80 -79.19 129.13 34.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.469 HG13 ' CD1' ' A' ' 23' ' ' ILE . 2.1 t -116.45 133.0 64.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -146.16 -174.83 18.67 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.463 ' O ' ' CD ' ' A' ' 85' ' ' ARG . 50.4 t30 59.84 29.42 18.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 0.748 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.475 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 1.6 mt -101.52 141.4 22.52 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.01 -162.56 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.495 1.787 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -93.92 -32.44 13.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 111.033 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.32 -9.59 48.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.272 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.573 ' HB2' ' CE2' ' A' ' 82' ' ' PHE . . . -100.8 91.71 4.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.4 p -90.11 174.15 7.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.364 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.46 ' HG3' ' CD2' ' A' ' 47' ' ' LEU . 20.5 mt-10 -57.84 -31.07 66.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.281 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.45 -33.63 75.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -83.87 -44.68 14.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.487 ' HB3' ' CE2' ' A' ' 45' ' ' PHE . 17.6 mt -58.25 -49.04 78.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.46 ' CD ' HG13 ' A' ' 42' ' ' VAL . 9.4 tttt -58.05 -37.95 75.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.89 -35.8 80.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.571 HD12 ' CE2' ' A' ' 82' ' ' PHE . 9.8 mt -68.12 -48.38 74.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.21 -29.5 67.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 111.036 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.435 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 76.9 p -63.0 -37.14 85.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.995 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.405 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 13.1 tp10 -71.09 -12.65 61.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.455 ' CG1' ' HA ' ' A' ' 73' ' ' ALA . 2.1 t -104.43 7.11 10.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.435 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 135.0 -177.32 19.41 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.491 1.12 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 122.89 7.49 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.446 1.761 . . . . 0.0 110.977 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.498 ' CG2' ' SG ' ' A' ' 62' ' ' CYS . 12.9 p -101.21 122.52 53.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.484 ' CG2' ' HB2' ' A' ' 65' ' ' GLN . 46.5 t -67.86 -72.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.99 164.19 30.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.984 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.591 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.6 OUTLIER -151.55 114.28 4.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 111.022 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -124.66 133.19 53.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.577 HD11 ' CE2' ' A' ' 49' ' ' TYR . 4.4 pp -120.27 177.74 4.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.565 HG22 ' CD2' ' A' ' 59' ' ' TYR . 2.7 m -86.41 121.62 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.577 ' CE2' HD11 ' A' ' 47' ' ' LEU . 1.2 m-85 -123.28 119.76 31.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 54' ' ' GLY . 1.9 m-20 -74.1 109.24 7.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.4 mtt85 -72.46 -29.14 63.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -70.51 -32.14 69.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.345 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.2 m -107.54 -4.54 18.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.419 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 54.33 16.92 7.27 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.514 1.133 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -118.12 146.22 38.75 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.749 . . . . 0.0 109.361 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.576 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 18.3 Cg_endo -75.0 137.39 21.66 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.473 1.775 . . . . 0.0 110.94 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.504 ' HB3' ' CE1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -52.54 -58.16 7.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 141.81 -17.65 2.59 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.546 1.154 . . . . 0.0 111.038 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.565 ' CD2' HG22 ' A' ' 48' ' ' VAL . 33.4 p90 -125.68 156.68 38.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 0.736 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.482 ' HA3' ' CB ' ' A' ' 47' ' ' LEU . . . -165.94 -170.28 30.66 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.512 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 81.2 m-85 -132.37 138.24 47.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 0.755 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.591 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 13.0 t -116.15 122.6 45.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 108.337 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.424 ' HA ' ' HA ' ' A' ' 17' ' ' SER . 3.4 tm-20 -99.47 126.11 45.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.487 ' CD1' HG22 ' A' ' 69' ' ' THR . 3.3 m-85 -96.51 -172.54 2.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.484 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -112.81 -18.7 12.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.266 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.24 134.07 53.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.501 ' CD ' ' CB ' ' A' ' 15' ' ' LEU . 3.9 mt-30 -64.28 -37.52 87.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -68.95 -37.39 78.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.487 HG22 ' CD1' ' A' ' 64' ' ' TYR . 97.4 m -66.66 -40.52 88.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.421 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.72 -40.62 84.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.5 mt -69.97 -41.87 73.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.456 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 6.3 t -64.83 -38.02 89.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.975 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.455 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . . . -66.49 -38.86 88.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.529 ' O ' ' CB ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -63.13 -47.28 83.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 111.001 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -77.8 -25.19 48.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 72' ' ' SER . 46.5 m-20 -74.91 -35.64 62.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 78' ' ' ASN . 1.4 mt -104.06 -91.86 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.529 ' CB ' ' O ' ' A' ' 74' ' ' MET . 1.4 t-20 35.8 86.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.35 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 83.21 34.74 19.87 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.54 120.63 27.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 110.332 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -58.53 143.1 47.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.573 ' CE2' ' HB2' ' A' ' 27' ' ' ALA . 4.5 t80 178.74 130.01 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 71.09 24.08 4.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.004 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.37 5.69 89.12 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.463 ' CD ' ' O ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER -123.83 -158.71 0.82 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 0.759 . . . . 0.0 110.277 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -126.93 143.44 51.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.268 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.46 HD22 ' CG2' ' A' ' 89' ' ' VAL . 0.2 OUTLIER -97.31 86.9 4.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -70.45 97.42 1.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.46 ' CG2' HD22 ' A' ' 87' ' ' LEU . 42.5 t -105.05 122.5 58.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.442 ' N ' ' OD1' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -140.17 137.28 34.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 90' ' ' ASP . 1.4 t30 -39.98 126.04 2.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -66.95 -10.42 49.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -91.62 25.28 2.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.87 149.59 30.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.995 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.1 -35.82 82.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.0 -33.89 33.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 20.4 m-20 -72.33 -20.11 61.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 7.2 ttpt -64.34 -40.08 95.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.95 -35.5 80.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.261 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.557 ' OE1' ' CZ ' ' A' ' 19' ' ' PHE . 3.5 mt-10 -71.69 -43.34 66.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.512 ' HG ' ' CZ ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -63.25 -32.47 73.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.21 -28.34 40.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.0 m -85.4 -36.21 20.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.978 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.464 ' CD1' HG12 ' A' ' 48' ' ' VAL . 2.8 tp -80.18 -9.15 59.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 101' ' ' LEU . . . 38.07 91.56 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.8 t -38.94 96.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 0.77 . . . . 0.0 110.437 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 108' ' ' ALA . . . 117.42 -169.31 13.13 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.485 1.116 . . . . 0.0 110.969 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 107' ' ' GLY . . . 83.31 75.63 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.487 0.757 . . . . 0.0 109.353 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 148.14 35.02 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.524 1.802 . . . . 0.0 110.982 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.7 p -137.55 148.15 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.36 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.528 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 8' ' ' ASP . 18.3 Cg_endo -75.03 -80.04 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.575 1.829 . . . . 0.0 111.014 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -161.22 28.6 0.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.457 ' CG1' HD12 ' A' ' 15' ' ' LEU . 44.7 t -83.87 -32.89 8.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -64.85 -51.2 63.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.67 -40.48 88.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 110.301 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.5 m -59.38 -42.8 92.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.974 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.457 HD12 ' CG1' ' A' ' 11' ' ' VAL . 10.2 mt -78.3 -10.89 59.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.502 ' O ' ' CB ' ' A' ' 17' ' ' SER . 5.9 ttm180 -98.39 79.47 2.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.323 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' A' ' 92' ' ' ALA . 1.6 m 159.76 124.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.022 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.446 ' CG1' ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -117.08 124.93 73.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.596 ' CD1' ' OD2' ' A' ' 90' ' ' ASP . 2.1 t80 -78.62 129.87 35.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.471 HG12 ' CD1' ' A' ' 23' ' ' ILE . 5.1 t -114.09 132.68 62.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -132.68 -177.25 14.81 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.464 1.102 . . . . 0.0 110.983 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 60.13 26.88 16.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 0.749 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.471 ' CD1' HG12 ' A' ' 20' ' ' VAL . 1.9 mt -99.09 114.39 65.48 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.466 ' CD ' ' HB3' ' A' ' 83' ' ' SER . 18.4 Cg_endo -74.95 178.5 7.17 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.541 1.811 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -73.41 -3.68 28.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.76 -9.86 42.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -114.97 96.39 5.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.9 p -90.57 174.43 7.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.417 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.461 ' HG3' ' CD1' ' A' ' 47' ' ' LEU . 47.8 mt-10 -57.85 -30.5 65.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -33.49 75.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 110.302 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -86.85 -45.71 10.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.319 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.466 ' HA ' ' CD1' ' A' ' 35' ' ' ILE . 19.2 mt -58.15 -49.36 77.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.86 -37.86 74.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.4 ' O ' ' OG ' ' A' ' 37' ' ' SER . 0.5 OUTLIER -65.21 -37.37 87.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.275 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.509 HG12 ' CE2' ' A' ' 82' ' ' PHE . 7.2 mt -68.26 -47.69 76.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.303 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.58 ' CD1' ' OH ' ' A' ' 64' ' ' TYR . 0.3 OUTLIER -68.79 -28.21 66.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.153 . . . . 0.0 111.011 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.466 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 55.6 p -62.33 -36.12 81.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.985 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 9.3 tp10 -71.23 -13.12 61.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 110.304 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.472 ' CG1' ' HA ' ' A' ' 73' ' ' ALA . 1.5 t -105.0 7.32 10.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.466 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 133.83 -178.2 18.5 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.507 1.129 . . . . 0.0 110.961 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.42 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 18.3 Cg_endo -75.04 130.69 13.47 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.457 1.767 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.458 ' CG1' ' SG ' ' A' ' 62' ' ' CYS . 6.1 t -104.15 130.72 54.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.492 ' CG1' ' OE2' ' A' ' 63' ' ' GLU . 77.4 t -81.53 -75.99 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.453 ' N ' ' OE1' ' A' ' 63' ' ' GLU . 0.1 OUTLIER -132.62 168.94 17.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.986 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.595 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.7 OUTLIER -162.26 114.19 1.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.8 137.62 50.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.326 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.461 ' CD1' ' HG3' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -116.56 176.2 5.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.569 HG21 ' CD1' ' A' ' 59' ' ' TYR . 2.5 m -86.37 121.8 37.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.333 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 1.3 m-85 -123.84 120.02 31.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 54' ' ' GLY . 17.2 m-20 -74.14 109.4 7.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.7 mtp85 -72.7 -29.97 63.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.137 . . . . 0.0 110.361 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.86 -28.68 64.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.324 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.9 p -111.04 -3.17 15.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 110.392 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 51.57 18.82 4.06 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.99 145.88 37.81 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.513 0.773 . . . . 0.0 109.248 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . 18.3 Cg_endo -75.04 137.56 21.79 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.524 1.802 . . . . 0.0 111.035 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.487 ' CB ' HG23 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -54.41 -58.17 8.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 142.32 -24.43 2.36 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.569 ' CD1' HG21 ' A' ' 48' ' ' VAL . 52.7 p90 -120.47 156.89 30.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 0.747 . . . . 0.0 111.01 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.416 ' CA ' ' HA ' ' A' ' 47' ' ' LEU . . . -159.19 -169.54 22.65 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.521 1.138 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.576 ' CE2' ' HG ' ' A' ' 101' ' ' LEU . 76.0 m-85 -132.4 137.59 47.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 0.788 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.595 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 19.4 t -113.23 117.91 33.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.154 . . . . 0.0 108.259 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.492 ' OE2' ' CG1' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -98.59 132.04 44.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.335 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.58 ' OH ' ' CD1' ' A' ' 36' ' ' PHE . 12.4 m-85 -107.14 -177.74 3.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 111.047 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.488 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -99.85 -12.95 19.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.338 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -135.83 130.58 34.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.451 ' NE2' ' CD1' ' A' ' 15' ' ' LEU . 8.1 tt0 -60.53 -40.7 92.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.273 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -59.83 -38.09 81.05 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 93.2 m -66.86 -43.45 83.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 110.427 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.78 -39.37 90.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.412 ' HG ' ' N ' ' A' ' 72' ' ' SER . 0.1 OUTLIER -68.22 -48.07 66.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.445 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 3.8 t -59.68 -37.28 78.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.977 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.472 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . . . -66.14 -38.35 87.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.505 ' O ' ' CB ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -62.85 -47.14 84.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 111.02 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 23.8 ttt-85 -77.66 -25.72 49.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 72' ' ' SER . 46.8 m-20 -77.22 -31.76 55.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 78' ' ' ASN . 2.7 mt -106.45 -92.19 0.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 74' ' ' MET . 1.6 t-20 37.72 83.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.18 38.52 12.88 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.474 1.109 . . . . 0.0 111.039 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.43 ' CB ' HD21 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -84.89 121.04 27.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 0.753 . . . . 0.0 110.304 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.56 136.13 57.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 110.256 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.509 ' CE2' HG12 ' A' ' 35' ' ' ILE . 14.8 t80 -176.79 -43.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 110.985 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.466 ' HB3' ' CD ' ' A' ' 24' ' ' PRO . 20.5 m -88.64 19.99 3.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.985 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.59 5.89 89.18 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.502 1.126 . . . . 0.0 111.015 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.484 ' O ' ' CB ' ' A' ' 86' ' ' ALA . 3.0 mtt180 -139.53 -69.22 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 0.735 . . . . 0.0 110.306 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 85' ' ' ARG . . . 164.66 143.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.455 ' CD2' HG12 ' A' ' 23' ' ' ILE . 8.5 mt -93.79 93.59 8.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.96 101.46 0.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.572 1.17 . . . . 0.0 110.356 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 4.4 t -106.31 126.13 61.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.596 ' OD2' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -138.4 155.38 48.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.451 ' O ' ' ND2' ' A' ' 97' ' ' ASN . 0.1 OUTLIER -63.81 128.91 37.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -61.23 -14.91 29.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -89.7 20.98 3.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.5 145.14 33.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.004 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 96' ' ' LYS . 10.2 pt-20 -59.85 -36.63 77.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.344 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.4 ' N ' ' HG3' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -79.64 -33.78 41.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.097 . . . . 0.0 109.28 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 91' ' ' ASN . 51.7 m-20 -72.37 -19.45 61.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.254 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -63.72 -45.89 87.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -61.43 -37.01 81.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.431 ' OE1' ' CE1' ' A' ' 59' ' ' TYR . 11.6 mm-40 -71.72 -42.15 67.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.576 ' HG ' ' CE2' ' A' ' 61' ' ' PHE . 0.4 OUTLIER -62.28 -32.83 73.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.35 -29.61 24.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.63 -29.63 23.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.017 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.509 ' CD2' ' CG1' ' A' ' 48' ' ' VAL . 3.9 mm? -79.28 0.72 27.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -54.32 -172.73 0.07 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.466 1.104 . . . . 0.0 110.992 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.5 m -70.52 152.38 44.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 0.788 . . . . 0.0 110.393 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 132.13 135.67 3.72 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -173.59 81.11 0.39 Allowed Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.55 0.794 . . . . 0.0 109.322 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 152.95 41.42 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.507 1.793 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.2 p -137.51 148.31 25.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 5.4 pt . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 0.0 109.272 179.993 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.467 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 28.9 t70 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.467 ' HD3' ' N ' ' A' ' 8' ' ' ASP . 18.2 Cg_endo -75.05 -89.47 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.522 1.801 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -175.84 92.04 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 49.1 t -72.59 -30.4 33.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 0.0 109.316 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.449 ' CG ' ' NE2' ' A' ' 67' ' ' GLN . 0.2 OUTLIER -58.36 -34.15 70.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.525 ' C ' ' CD ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -61.82 -35.22 77.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.316 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.465 ' N ' ' HG3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -62.85 -33.59 75.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.46 ' CB ' ' CD ' ' A' ' 67' ' ' GLN . 0.4 OUTLIER -69.85 -14.47 62.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.431 ' O ' ' C ' ' A' ' 17' ' ' SER . 26.1 mtp180 -95.41 -67.25 0.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.515 ' O ' ' CB ' ' A' ' 92' ' ' ALA . 60.8 m -37.0 118.54 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.056 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.463 ' CG1' ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -111.72 125.68 69.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.415 ' HB3' ' ND2' ' A' ' 97' ' ' ASN . 3.0 t80 -78.06 129.81 35.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.472 ' CG2' HD13 ' A' ' 23' ' ' ILE . 0.6 OUTLIER -116.2 133.41 62.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -157.86 176.33 34.95 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.547 1.155 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.44 ' O ' ' ND2' ' A' ' 22' ' ' ASN . 4.8 t30 72.82 22.67 3.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 0.776 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.483 ' CD1' ' CD2' ' A' ' 32' ' ' LEU . 2.0 mt -101.88 140.96 21.64 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 23' ' ' ILE . 18.4 Cg_endo -74.98 -162.32 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.462 1.769 . . . . 0.0 111.018 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -96.01 -5.73 40.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.16 -9.63 44.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.465 ' HB2' ' CG2' ' A' ' 23' ' ' ILE . . . -110.3 96.1 6.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.2 p -90.38 173.75 7.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 110.401 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.44 ' OE2' ' CA ' ' A' ' 46' ' ' ARG . 8.0 mt-10 -58.11 -31.3 67.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.133 . . . . 0.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.68 -33.86 74.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.276 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.451 ' HB3' ' CZ ' ' A' ' 82' ' ' PHE . 5.9 mt-30 -83.89 -44.79 13.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.483 ' CD2' ' CD1' ' A' ' 23' ' ' ILE . 5.8 mp -58.04 -49.15 77.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.495 ' CG ' ' CG2' ' A' ' 42' ' ' VAL . 1.6 ttpt -56.4 -38.27 71.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.94 -37.85 87.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.564 HD11 ' CD2' ' A' ' 82' ' ' PHE . 7.1 mt -68.02 -47.69 77.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -68.28 -27.88 66.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.535 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -61.76 -33.03 73.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.06 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -67.93 -12.16 60.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.486 HG11 ' CA ' ' A' ' 73' ' ' ALA . 37.1 t -103.82 -10.98 9.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.535 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 149.66 176.55 22.93 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.448 1.093 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 118.3 5.21 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.783 . . . . 0.0 110.948 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.495 ' CG2' ' CG ' ' A' ' 33' ' ' LYS . 33.5 m -85.67 122.35 38.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.482 ' CG2' ' CD ' ' A' ' 65' ' ' GLN . 3.0 t -63.26 -68.83 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 m -135.77 166.24 23.75 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.443 1.089 . . . . 0.0 110.022 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.451 ' CZ ' ' HB2' ' A' ' 62' ' ' CYS . 0.7 OUTLIER -161.95 112.95 1.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 110.952 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.44 ' CA ' ' OE2' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -132.48 128.18 36.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.287 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.602 ' CD1' ' CD2' ' A' ' 49' ' ' TYR . 0.5 OUTLIER -108.5 177.49 4.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.267 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.573 HG11 ' CE1' ' A' ' 59' ' ' TYR . 3.4 m -88.44 121.62 38.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.602 ' CD2' ' CD1' ' A' ' 47' ' ' LEU . 1.0 OUTLIER -120.58 119.63 33.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.953 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 54' ' ' GLY . 1.5 m-20 -75.77 109.75 9.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.12 -27.94 62.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.122 . . . . 0.0 110.318 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.75 -32.03 70.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.475 HG21 ' CD ' ' A' ' 55' ' ' LYS . 3.2 m -109.27 -5.4 15.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.087 . . . . 0.0 110.415 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 56.17 14.5 8.53 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.475 ' CD ' HG21 ' A' ' 53' ' ' THR . 3.2 mttp -118.81 145.52 37.96 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.495 0.762 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.577 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 18.3 Cg_endo -75.01 137.87 22.26 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.46 1.768 . . . . 0.0 110.976 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.464 ' HB2' ' CG2' ' A' ' 48' ' ' VAL . 0.1 OUTLIER -52.04 -56.12 16.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.252 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 142.35 -13.84 2.52 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.127 . . . . 0.0 110.969 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.595 ' CE2' ' OE2' ' A' ' 100' ' ' GLU . 1.6 p90 -125.56 159.37 32.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.761 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.468 ' HA3' ' CB ' ' A' ' 47' ' ' LEU . . . -163.45 -170.25 28.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.573 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 92.5 m-85 -132.34 137.59 47.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 110.994 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.451 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 34.9 t -121.2 122.11 39.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 108.319 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -100.52 123.53 44.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -91.14 -175.29 4.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.482 ' CD ' ' CG2' ' A' ' 43' ' ' VAL . 0.9 OUTLIER -106.74 -15.84 14.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.44 134.27 43.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.46 ' CD ' ' CB ' ' A' ' 15' ' ' LEU . 3.0 mt-30 -58.89 -46.57 87.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.28 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -59.91 -37.03 78.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.342 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 85.2 m -66.5 -42.24 87.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.352 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.91 -40.17 83.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.7 mt -69.27 -40.55 77.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.427 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 93.6 p -64.23 -38.59 91.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.011 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.486 ' CA ' HG11 ' A' ' 39' ' ' VAL . . . -67.05 -38.5 85.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.463 ' HG3' ' CG1' ' A' ' 18' ' ' VAL . 0.5 OUTLIER -62.3 -48.03 81.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.59 -26.24 50.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 72' ' ' SER . 20.4 m-20 -78.22 -20.67 51.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.63 ' O ' ' C ' ' A' ' 78' ' ' ASN . 27.2 mt -113.54 -91.95 0.49 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.63 ' C ' ' O ' ' A' ' 77' ' ' LEU . 22.1 p-10 19.71 87.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 97.11 22.57 17.01 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.516 1.135 . . . . 0.0 111.041 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -84.3 119.78 25.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 0.724 . . . . 0.0 110.326 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -64.46 140.49 58.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.34 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.564 ' CD2' HD11 ' A' ' 35' ' ' ILE . 30.4 t80 -176.42 144.66 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.0 m 57.79 17.08 3.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.987 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 83.98 16.18 68.16 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 -146.99 152.96 39.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.771 . . . . 0.0 110.33 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.45 143.52 46.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 109.339 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.49 96.95 7.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -73.5 117.2 14.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 62.1 t -125.53 122.24 62.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.425 1.078 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.71 154.07 46.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.439 ' O ' ' ND2' ' A' ' 97' ' ' ASN . 1.0 OUTLIER -47.61 121.28 3.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.33 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -63.81 -12.12 33.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -90.93 24.06 2.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.428 ' HB2' ' ND2' ' A' ' 97' ' ' ASN . 2.9 m -79.78 153.77 28.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 109.993 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -67.59 -33.35 74.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.327 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.19 -33.81 32.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 91' ' ' ASN . 88.4 m-20 -72.31 -19.85 61.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -64.25 -37.35 87.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.424 ' N ' ' HG3' ' A' ' 98' ' ' LYS . 8.8 mt-10 -63.36 -35.25 79.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.253 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.595 ' OE2' ' CE2' ' A' ' 59' ' ' TYR . 4.2 mm-40 -71.71 -43.25 66.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.573 ' HG ' ' CZ ' ' A' ' 61' ' ' PHE . 0.4 OUTLIER -62.9 -33.17 74.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -50.6 -28.91 9.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.55 -33.07 21.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.002 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.465 ' CD1' HG13 ' A' ' 48' ' ' VAL . 2.1 tp -89.61 7.46 36.35 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.157 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 101' ' ' LEU . . . -65.44 -62.52 4.78 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 5.9 t -110.63 138.18 47.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.0 110.378 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -140.58 -177.56 16.2 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.472 1.107 . . . . 0.0 110.995 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -157.81 156.49 28.49 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 109.321 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 156.18 43.17 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.508 1.794 . . . . 0.0 111.026 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 10.7 p -137.52 143.57 33.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 10.8 mt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.983 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.3 t70 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -56.21 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.521 1.8 . . . . 0.0 110.976 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.455 ' CB ' ' HB2' ' A' ' 13' ' ' ARG . . . -176.17 86.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.5 t -69.98 -32.91 53.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.24 -34.75 76.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.258 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.455 ' HB2' ' CB ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -57.31 -36.76 71.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.346 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.28 -40.43 94.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.962 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.7 mp -69.58 -13.31 62.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.483 ' O ' ' CG ' ' A' ' 63' ' ' GLU . 13.5 mtm-85 -106.09 40.07 1.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.447 ' HB2' ' CB ' ' A' ' 92' ' ' ALA . 1.2 p -154.27 130.91 10.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.0 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.489 ' CG1' ' HB3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -125.57 125.62 68.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.417 ' HB3' ' ND2' ' A' ' 97' ' ' ASN . 2.4 t80 -78.43 131.36 36.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 111.038 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.487 HG21 ' CZ ' ' A' ' 36' ' ' PHE . 2.1 t -119.14 137.85 51.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -146.02 -177.66 20.87 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.48 1.113 . . . . 0.0 111.02 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.5 t30 61.6 24.43 14.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 109.296 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.4 mt -95.45 114.45 63.92 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 178.73 6.88 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.515 1.797 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -74.9 -1.84 24.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 111.026 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.59 -9.97 42.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.312 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -124.96 100.26 6.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.4 p -91.85 174.33 7.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.1 . . . . 0.0 110.401 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.475 ' HG3' ' CD1' ' A' ' 47' ' ' LEU . 1.7 mt-10 -57.79 -30.36 65.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.04 -33.64 73.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.333 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -89.4 -44.86 9.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.422 ' N ' HD13 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -57.13 -49.0 77.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.44 ' HG3' ' CG1' ' A' ' 42' ' ' VAL . 0.7 OUTLIER -61.48 -37.75 84.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -65.36 -38.95 91.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.566 HD12 ' CE2' ' A' ' 82' ' ' PHE . 7.6 mt -68.1 -46.74 80.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.579 ' CD1' HD21 ' A' ' 77' ' ' LEU . 14.7 m-85 -67.76 -29.13 68.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 53.9 p -63.21 -33.16 74.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.005 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.41 -12.67 61.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.315 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.498 ' CG1' ' HA ' ' A' ' 73' ' ' ALA . 2.2 t -103.92 7.08 10.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.252 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.436 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 137.8 -178.22 19.31 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 119.67 5.73 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.484 1.781 . . . . 0.0 111.016 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.44 ' CG1' ' HG3' ' A' ' 33' ' ' LYS . 71.3 t -88.18 122.38 39.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.8 t -71.74 -77.55 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.33 176.66 8.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.962 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.568 ' CE1' HD22 ' A' ' 47' ' ' LEU . 0.8 OUTLIER -171.13 120.92 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -138.1 135.44 35.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.28 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.568 HD22 ' CE1' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -113.29 176.89 4.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.262 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.571 HG23 ' CE2' ' A' ' 59' ' ' TYR . 3.5 m -90.7 121.44 41.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.527 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 1.2 m-85 -123.81 119.82 30.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 54' ' ' GLY . 13.3 m-20 -72.08 109.21 5.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.464 ' CZ ' ' HB2' ' A' ' 51' ' ' ARG . 28.7 mtm105 -73.05 -29.68 63.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.257 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -70.51 -30.84 67.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.328 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.4 p -109.56 -3.15 17.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.418 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 50.72 19.69 3.48 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -118.1 145.13 36.22 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.566 0.804 . . . . 0.0 109.307 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . 18.3 Cg_endo -75.0 137.63 21.98 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.512 1.796 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -57.91 -58.25 9.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 138.9 -15.73 3.29 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.506 1.129 . . . . 0.0 111.028 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.571 ' CE2' HG23 ' A' ' 48' ' ' VAL . 33.0 p90 -126.01 156.73 39.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 0.736 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -164.2 -174.16 33.67 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.588 ' CE2' ' HG ' ' A' ' 101' ' ' LEU . 30.2 m-85 -132.35 135.6 46.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 0.768 . . . . 0.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.539 ' HB2' ' CE1' ' A' ' 45' ' ' PHE . 12.2 t -106.94 152.7 23.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 108.304 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.483 ' CG ' ' O ' ' A' ' 16' ' ' ARG . 0.8 OUTLIER -119.73 123.35 43.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.262 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.5 ' OH ' ' CB ' ' A' ' 73' ' ' ALA . 4.0 m-85 -102.26 -173.78 2.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.0 tm0? -113.07 -23.39 10.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.328 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.433 ' HB2' ' CB ' ' A' ' 69' ' ' THR . 0.2 OUTLIER -124.54 134.32 53.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -61.35 -46.27 90.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -62.54 -37.94 88.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.433 ' CB ' ' HB2' ' A' ' 66' ' ' ASP . 92.2 m -66.55 -42.2 87.51 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.115 . . . . 0.0 110.39 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.408 ' O ' ' HB3' ' A' ' 74' ' ' MET . . . -69.22 -39.32 78.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.493 ' O ' ' HG2' ' A' ' 74' ' ' MET . 0.5 OUTLIER -69.89 -36.97 75.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.456 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 6.9 m -71.61 -41.76 68.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.014 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.5 ' CB ' ' OH ' ' A' ' 64' ' ' TYR . . . -68.33 -46.61 69.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.525 ' O ' ' CB ' ' A' ' 78' ' ' ASN . 5.3 ptt? -67.07 -41.08 87.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.958 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.492 ' N ' ' CG ' ' A' ' 74' ' ' MET . 23.1 ttt85 -73.73 -31.2 63.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.259 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.456 ' CB ' ' O ' ' A' ' 72' ' ' SER . 41.5 m-20 -78.27 -36.74 46.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.579 HD21 ' CD1' ' A' ' 36' ' ' PHE . 8.5 mp -86.47 -25.91 24.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.525 ' CB ' ' O ' ' A' ' 74' ' ' MET . 1.7 t30 -57.27 88.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . 109.02 4.17 31.38 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.526 1.141 . . . . 0.0 110.957 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.0 125.41 30.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 0.0 110.249 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.28 140.27 40.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.566 ' CE2' HD12 ' A' ' 35' ' ' ILE . 39.1 t80 -165.03 151.38 10.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.523 ' OG ' ' CE1' ' A' ' 82' ' ' PHE . 15.4 m 53.8 24.15 4.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.015 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.38 6.05 89.47 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.4 -162.63 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.77 . . . . 0.0 110.327 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -116.93 154.6 30.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.466 HD21 ' CG2' ' A' ' 89' ' ' VAL . 0.1 OUTLIER -110.13 98.2 7.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.251 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.34 89.67 7.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.282 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.466 ' CG2' HD21 ' A' ' 87' ' ' LEU . 2.0 t -106.39 124.25 61.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -140.3 140.55 35.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.439 ' O ' ' ND2' ' A' ' 97' ' ' ASN . 1.8 t30 -38.71 126.96 1.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.447 ' CB ' ' HB2' ' A' ' 17' ' ' SER . . . -68.99 -8.52 45.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.244 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -91.01 23.34 3.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.2 t -79.77 148.02 31.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.009 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -65.4 -32.61 74.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.142 . . . . 0.0 110.281 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 6.4 ptmt -81.12 -33.56 33.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 91' ' ' ASN . 83.1 m-20 -72.06 -19.59 61.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.457 ' HE2' ' CA ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -64.3 -40.45 95.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.361 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.457 ' CA ' ' HE2' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -61.55 -43.59 98.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.305 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -71.66 -35.94 70.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.258 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.588 ' HG ' ' CE2' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -61.9 -36.34 81.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.94 -29.96 0.92 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.81 -37.93 18.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.112 . . . . 0.0 109.972 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.529 ' CD2' ' CG1' ' A' ' 48' ' ' VAL . 1.6 mm? -79.27 0.59 28.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.475 ' O ' ' C ' ' A' ' 106' ' ' THR . . . -104.77 153.54 17.42 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.475 ' C ' ' O ' ' A' ' 105' ' ' GLY . 10.0 t 32.91 89.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 0.753 . . . . 0.0 110.393 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 156.15 122.83 0.77 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.51 1.132 . . . . 0.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -170.23 82.08 0.59 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.474 0.75 . . . . 0.0 109.284 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 162.28 37.36 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.513 1.796 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.4 p -137.15 148.36 26.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.462 ' CB ' ' CD ' ' A' ' 9' ' ' PRO . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.485 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 18.3 Cg_endo -74.98 -50.03 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.532 1.806 . . . . 0.0 111.025 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.485 ' CB ' ' O ' ' A' ' 9' ' ' PRO . . . 163.71 83.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 33.8 t -83.41 -32.91 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.74 -34.7 78.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.4 ' NH1' ' O ' ' A' ' 107' ' ' GLY . 24.5 ttm180 -57.12 -36.74 71.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.2 -36.85 81.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.012 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.473 ' CB ' ' NE2' ' A' ' 67' ' ' GLN . 1.0 OUTLIER -68.33 -17.91 64.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.485 ' O ' ' O ' ' A' ' 17' ' ' SER . 1.0 OUTLIER -99.35 -159.74 0.76 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.268 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.529 ' O ' ' CB ' ' A' ' 92' ' ' ALA . 1.1 p 56.1 119.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.968 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.447 ' CG1' ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -123.8 124.94 70.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.585 ' CD1' ' OD2' ' A' ' 90' ' ' ASP . 5.0 t80 -73.65 129.41 37.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.557 HG22 ' CZ ' ' A' ' 36' ' ' PHE . 2.2 t -119.94 132.34 69.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -132.23 -173.41 13.31 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.533 1.146 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 86' ' ' ALA . 19.3 t-20 62.73 22.08 13.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 0.779 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.453 ' CG2' HD11 ' A' ' 32' ' ' LEU . 2.3 mt -96.92 114.36 64.48 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 178.4 7.32 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.457 1.767 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.56 ' CE2' ' HD2' ' A' ' 56' ' ' PRO . 3.2 m-85 -72.85 -9.66 58.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.7 -9.67 42.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.331 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.448 ' HB2' ' CG2' ' A' ' 23' ' ' ILE . . . -108.2 96.31 6.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.424 ' O ' ' CD2' ' A' ' 32' ' ' LEU . 7.3 p -90.6 174.79 7.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.432 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.461 ' HG3' ' CD1' ' A' ' 47' ' ' LEU . 45.5 mt-10 -57.71 -29.46 64.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.264 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.11 -33.47 72.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -91.06 -45.13 8.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.453 HD11 ' CG2' ' A' ' 23' ' ' ILE . 0.2 OUTLIER -57.27 -49.16 76.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.469 ' CG ' HG11 ' A' ' 42' ' ' VAL . 6.2 ttpt -61.58 -37.81 85.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.4 ' O ' ' OG ' ' A' ' 37' ' ' SER . 0.2 OUTLIER -65.93 -38.94 89.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.23 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.573 HG12 ' CE2' ' A' ' 82' ' ' PHE . 7.9 mt -68.36 -46.87 79.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.557 ' CZ ' HG22 ' A' ' 20' ' ' VAL . 2.0 m-85 -67.98 -29.36 68.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.441 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 59.9 p -63.6 -34.57 78.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 109.988 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.412 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 9.1 tp10 -71.14 -12.62 61.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.487 ' CG1' ' CB ' ' A' ' 76' ' ' ASN . 0.3 OUTLIER -104.24 7.1 10.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.441 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 140.01 176.45 15.03 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.469 1.106 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 109.74 2.99 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.476 1.777 . . . . 0.0 111.008 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.522 ' CG2' ' SG ' ' A' ' 62' ' ' CYS . 14.5 p -87.94 137.91 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.456 ' CG2' ' HG3' ' A' ' 65' ' ' GLN . 2.7 t -89.97 -80.98 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.42 ' N ' ' CG1' ' A' ' 43' ' ' VAL . 0.4 OUTLIER -124.74 163.71 21.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.988 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.601 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.6 OUTLIER -153.03 115.7 4.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -130.38 130.99 45.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.285 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.473 ' CD2' ' HA3' ' A' ' 60' ' ' GLY . 0.2 OUTLIER -110.75 177.37 4.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.568 HG23 ' CD2' ' A' ' 59' ' ' TYR . 3.9 m -89.36 121.65 39.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.529 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 0.8 OUTLIER -126.74 118.91 25.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 54' ' ' GLY . 14.0 m-20 -71.01 109.32 5.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.7 mtm180 -73.05 -30.52 63.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -71.6 -32.54 68.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 110.294 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.5 m -106.03 -3.87 21.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.393 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 50.24 20.53 3.52 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.457 1.098 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.6 mmtt -117.89 145.33 36.43 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.56 ' HD2' ' CE2' ' A' ' 25' ' ' TYR . 18.4 Cg_endo -74.96 140.88 26.09 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.465 1.771 . . . . 0.0 111.017 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.539 ' HB3' ' CE1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -62.68 -56.15 20.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 138.57 -20.04 3.14 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.519 1.137 . . . . 0.0 111.033 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 19' ' ' PHE . 36.8 p90 -124.27 156.88 36.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 0.798 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.473 ' HA3' ' CD2' ' A' ' 47' ' ' LEU . . . -157.74 -172.65 25.18 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.402 ' CZ ' ' HD2' ' A' ' 19' ' ' PHE . 92.5 m-85 -132.57 137.71 47.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 0.775 . . . . 0.0 111.002 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.601 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 4.9 t -114.07 120.32 40.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 108.297 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -96.42 123.41 40.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.273 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -101.2 179.48 4.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.477 ' O ' ' NH2' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -108.09 -9.38 15.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.279 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.446 ' HB2' ' CB ' ' A' ' 69' ' ' THR . 0.0 OUTLIER -125.95 128.87 48.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.473 ' NE2' ' CB ' ' A' ' 15' ' ' LEU . 15.4 tt0 -64.63 -46.84 80.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -61.17 -37.37 82.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.446 ' CB ' ' HB2' ' A' ' 66' ' ' ASP . 84.8 m -66.42 -39.15 88.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.382 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.31 -40.33 89.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.414 ' HG ' ' N ' ' A' ' 72' ' ' SER . 0.1 OUTLIER -70.37 -49.0 53.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.455 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 3.8 m -60.1 -38.44 82.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.995 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.473 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . . . -66.64 -37.95 85.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.634 ' O ' ' HB3' ' A' ' 78' ' ' ASN . 0.2 OUTLIER -62.11 -47.95 82.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.968 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -77.63 -26.85 50.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.327 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.487 ' CB ' ' CG1' ' A' ' 39' ' ' VAL . 10.7 m-20 -68.48 -35.26 77.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 79' ' ' GLY . 4.0 mt -103.87 -75.66 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.634 ' HB3' ' O ' ' A' ' 74' ' ' MET . 1.0 OUTLIER 36.8 33.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.163 . . . . 0.0 109.293 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . 117.0 49.82 0.41 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.464 ' HB2' ' CD2' ' A' ' 77' ' ' LEU . 0.1 OUTLIER -81.7 125.6 30.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.484 0.755 . . . . 0.0 110.291 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.92 134.27 56.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.573 ' CE2' HG12 ' A' ' 35' ' ' ILE . 15.8 t80 -175.84 -43.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.974 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 88.6 p -88.33 18.69 4.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.977 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 90.0 5.88 70.15 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.545 1.153 . . . . 0.0 111.032 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -147.31 -85.25 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 0.747 . . . . 0.0 110.3 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.431 ' O ' ' ND2' ' A' ' 22' ' ' ASN . . . -174.05 140.17 0.69 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.446 ' CD1' HG12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -94.46 95.39 8.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.5 130.75 48.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.308 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.436 ' CG2' ' HB2' ' A' ' 77' ' ' LEU . 6.0 t -125.85 133.56 68.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.585 ' OD2' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -139.32 155.88 47.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.456 ' N ' ' SD ' ' A' ' 74' ' ' MET . 0.1 OUTLIER -78.48 125.02 28.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -59.06 -14.78 10.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -86.02 18.46 3.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.352 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.42 149.6 31.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 110.004 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -68.13 -36.54 79.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.281 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.2 pttt -80.57 -29.2 37.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -72.24 -19.84 61.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.31 -29.87 70.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.73 -42.24 74.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.438 ' OE2' ' CE2' ' A' ' 59' ' ' TYR . 6.6 mm-40 -71.52 -44.47 64.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.4 OUTLIER -63.3 -32.97 74.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.307 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -54.52 -28.66 46.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.75 -36.22 20.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.008 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.468 HD12 ' CG1' ' A' ' 48' ' ' VAL . 2.9 tp -79.36 -9.49 59.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 101' ' ' LEU . . . 114.81 -94.37 0.67 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.429 1.08 . . . . 0.0 111.031 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.8 t -178.61 -42.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 0.777 . . . . 0.0 110.406 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.4 ' O ' ' NH1' ' A' ' 13' ' ' ARG . . . 161.81 119.9 0.52 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.51 1.132 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -152.36 165.62 17.11 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 175.1 11.69 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.494 1.787 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 14.5 p -131.49 144.53 37.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 81.7 mt . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 179.988 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.572 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 1.3 t0 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 8' ' ' ASP . 18.2 Cg_endo -75.02 152.82 41.15 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.547 1.814 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -117.73 -5.87 11.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 37.0 t -86.24 -32.88 6.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.28 -34.99 72.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.37 -39.62 76.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.54 -31.7 73.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.995 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.547 ' CB ' ' NE2' ' A' ' 67' ' ' GLN . 0.2 OUTLIER -69.28 -16.87 63.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 17' ' ' SER . 35.7 mtm-85 -87.49 -63.91 1.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.52 ' O ' ' CB ' ' A' ' 92' ' ' ALA . 36.6 m -37.4 117.3 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 0.0 109.998 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.447 ' CG1' ' HG3' ' A' ' 74' ' ' MET . 0.4 OUTLIER -111.49 125.73 68.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.53 ' CD1' ' OD2' ' A' ' 90' ' ' ASP . 4.1 t80 -80.05 129.45 34.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.462 ' CG1' ' CD1' ' A' ' 23' ' ' ILE . 12.9 t -115.7 132.99 63.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.115 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.78 -176.74 14.52 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 61.18 24.4 14.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 0.754 . . . . 0.0 109.332 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.462 ' CD1' ' CG1' ' A' ' 20' ' ' VAL . 3.4 mt -95.22 114.44 63.77 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.459 ' CD ' ' HB3' ' A' ' 83' ' ' SER . 18.4 Cg_endo -75.02 -177.62 3.6 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.533 1.807 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.577 ' CE2' ' HD2' ' A' ' 56' ' ' PRO . 4.8 m-85 -77.57 -6.91 55.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 111.062 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -91.61 -9.91 42.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 110.313 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -113.12 95.62 5.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.475 ' O ' ' CD2' ' A' ' 32' ' ' LEU . 6.8 p -90.76 174.25 7.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 110.388 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.451 ' HG3' ' CD1' ' A' ' 47' ' ' LEU . 26.1 mt-10 -58.0 -30.05 65.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.65 -33.57 73.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.267 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -89.71 -45.19 9.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.345 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.475 ' CD2' ' O ' ' A' ' 28' ' ' THR . 0.2 OUTLIER -57.18 -49.11 76.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.25 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.471 ' HG3' ' CG1' ' A' ' 42' ' ' VAL . 0.5 OUTLIER -61.03 -37.97 84.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -65.98 -37.7 86.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.566 HD13 ' CD2' ' A' ' 82' ' ' PHE . 24.0 mt -68.17 -47.39 78.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.467 ' HB3' ' CG2' ' A' ' 42' ' ' VAL . 0.2 OUTLIER -68.43 -29.1 67.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 57.8 p -62.33 -41.98 99.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.994 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -66.01 -12.09 52.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.469 HG21 ' CD1' ' A' ' 77' ' ' LEU . 6.1 t -103.93 7.01 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.417 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 137.49 -175.84 20.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.544 1.152 . . . . 0.0 110.965 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 132.24 15.18 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.485 1.781 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.471 ' CG1' ' HG3' ' A' ' 33' ' ' LYS . 31.1 t -106.09 139.43 27.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.42 ' N ' HG13 ' A' ' 42' ' ' VAL . 3.1 t -97.19 -79.88 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.408 ' CB ' ' HG3' ' A' ' 63' ' ' GLU . 0.6 OUTLIER -125.39 171.29 10.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.996 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.55 ' CE2' ' HB2' ' A' ' 62' ' ' CYS . 0.7 OUTLIER -167.53 114.6 0.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.964 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -135.08 132.27 37.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.465 ' HA ' ' CA ' ' A' ' 60' ' ' GLY . 0.2 OUTLIER -107.15 177.69 4.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 109.3 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.548 HG22 ' CD2' ' A' ' 59' ' ' TYR . 3.7 m -88.82 121.58 39.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 0.8 OUTLIER -128.48 118.83 23.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.147 . . . . 0.0 110.981 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 54' ' ' GLY . 13.7 m-20 -70.12 109.31 4.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 64.5 mtt180 -72.97 -29.91 63.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -70.88 -32.32 69.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.467 ' OG1' ' CB ' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -111.88 5.77 19.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.402 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 39.49 27.91 0.1 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 53' ' ' THR . 3.7 ptmt -117.83 144.65 34.91 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.577 ' HD2' ' CE2' ' A' ' 25' ' ' TYR . 18.3 Cg_endo -75.01 142.22 27.56 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.511 1.795 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.487 ' CB ' HG21 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -68.04 -55.35 12.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 136.97 -20.48 3.41 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.488 1.118 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.548 ' CD2' HG22 ' A' ' 48' ' ' VAL . 39.4 p90 -125.51 156.88 38.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 0.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.465 ' CA ' ' HA ' ' A' ' 47' ' ' LEU . . . -157.27 -173.34 25.57 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.483 1.115 . . . . 0.0 110.958 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.571 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 61.1 m-85 -132.2 137.69 47.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.55 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 25.5 t -114.96 125.57 53.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 108.312 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.408 ' HG3' ' CB ' ' A' ' 44' ' ' SER . 1.6 pt-20 -98.87 123.31 43.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.569 ' CE1' ' CG2' ' A' ' 69' ' ' THR . 2.3 m-85 -95.04 -168.65 1.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.946 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -115.07 -14.91 11.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -135.13 132.68 38.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.547 ' NE2' ' CB ' ' A' ' 15' ' ' LEU . 0.4 OUTLIER -59.69 -43.2 94.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.279 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.82 -38.04 80.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.569 ' CG2' ' CE1' ' A' ' 64' ' ' TYR . 33.9 m -67.99 -39.38 83.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.416 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.11 -39.38 82.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.342 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.1 mt -70.15 -46.23 65.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.449 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 58.7 m -63.86 -38.0 89.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.994 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.45 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . . . -66.87 -38.39 86.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.607 ' O ' ' HB3' ' A' ' 78' ' ' ASN . 1.7 mtp -62.65 -47.85 81.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.969 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.34 -26.83 52.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.281 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 72' ' ' SER . 18.5 m-20 -68.69 -35.71 77.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.469 ' CD1' HG21 ' A' ' 39' ' ' VAL . 9.2 mp -104.41 -72.33 0.71 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.607 ' HB3' ' O ' ' A' ' 74' ' ' MET . 1.0 OUTLIER 36.79 33.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . 116.97 53.86 0.32 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.83 121.31 26.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 0.748 . . . . 0.0 110.322 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -54.89 137.61 45.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.311 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.566 ' CD2' HD13 ' A' ' 35' ' ' ILE . 7.8 t80 174.39 -41.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.484 ' OG ' ' CD1' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -88.87 19.17 4.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.002 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 85.03 5.89 85.5 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.484 1.115 . . . . 0.0 110.956 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.431 ' O ' ' CB ' ' A' ' 86' ' ' ALA . 0.5 OUTLIER -146.14 -74.25 0.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 0.769 . . . . 0.0 110.301 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' A' ' 85' ' ' ARG . . . 167.7 134.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.484 ' CD1' ' OG ' ' A' ' 83' ' ' SER . 0.2 OUTLIER -82.38 93.54 7.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -60.54 128.23 35.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.448 HG11 ' CG ' ' A' ' 74' ' ' MET . 3.1 t -125.55 124.62 67.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.53 ' OD2' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -139.7 154.62 47.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.453 ' N ' ' SD ' ' A' ' 74' ' ' MET . 1.0 OUTLIER -61.93 123.93 19.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.248 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -62.33 -13.82 33.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -91.52 24.37 3.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.77 150.55 30.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.025 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -63.38 -36.88 85.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -81.35 -33.82 32.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.426 ' ND2' ' HB3' ' A' ' 19' ' ' PHE . 5.6 m-20 -72.32 -19.85 61.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -36.95 85.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.492 ' O ' ' CG ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -63.98 -37.8 88.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.312 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.461 ' OE2' ' CZ ' ' A' ' 59' ' ' TYR . 6.5 mm-40 -71.61 -42.8 67.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.571 ' HG ' ' CZ ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -62.87 -32.78 74.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.492 ' CG ' ' O ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -50.93 -29.15 11.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.56 -35.1 21.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.003 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.455 ' CD1' HG12 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -84.81 7.47 20.64 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -68.58 -82.43 0.17 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 23.1 m -141.5 139.5 33.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 110.403 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -44.61 143.55 2.66 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.461 1.101 . . . . 0.0 110.979 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -171.69 79.38 0.49 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.474 0.749 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 146.41 32.6 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.493 1.786 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 11.5 p -127.8 151.47 34.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 4.7 mp . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.329 -179.987 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 36.2 t70 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.522 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 18.2 Cg_endo -75.03 170.97 19.25 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.503 1.791 . . . . 0.0 110.995 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.522 ' CB ' ' O ' ' A' ' 9' ' ' PRO . . . 161.61 -27.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.5 t -83.54 -32.95 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.95 -34.96 73.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 45.0 mtt180 -59.11 -37.77 77.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.337 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 71.1 m -61.34 -41.11 96.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.956 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.461 ' HB3' ' CG ' ' A' ' 67' ' ' GLN . 1.1 mt -70.2 -13.38 62.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.0 mtm-85 -103.61 59.91 0.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.476 ' HA ' ' HA ' ' A' ' 63' ' ' GLU . 9.3 m -176.27 138.33 0.32 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.022 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.449 ' CG1' ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -124.47 125.55 70.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.358 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.48 ' CZ ' ' OE1' ' A' ' 100' ' ' GLU . 28.4 t80 -76.56 129.19 36.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.568 HG21 ' CZ ' ' A' ' 36' ' ' PHE . 2.1 t -117.7 133.1 65.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.51 -172.34 12.91 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.2 t30 51.26 36.42 16.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 0.786 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.474 ' CD1' HD21 ' A' ' 32' ' ' LEU . 3.4 mt -95.48 114.47 63.98 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 167.06 27.84 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 110.971 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.6 m-30 -66.64 -8.59 28.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -91.72 -11.72 36.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.258 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -115.97 95.87 5.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.337 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.09 173.77 8.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.428 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.448 ' OE2' ' N ' ' A' ' 47' ' ' LEU . 41.2 mt-10 -58.29 -30.86 66.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.309 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.38 -33.37 75.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.292 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -85.72 -43.68 13.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.474 HD21 ' CD1' ' A' ' 23' ' ' ILE . 11.1 mp -60.59 -49.0 79.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.16 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.407 ' HD2' ' CG1' ' A' ' 42' ' ' VAL . 2.3 ttpp -56.36 -38.15 71.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -65.69 -38.15 88.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 0.0 109.349 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.462 HG22 ' CD2' ' A' ' 77' ' ' LEU . 8.2 mt -68.16 -47.06 80.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.568 ' CE1' HD13 ' A' ' 77' ' ' LEU . 3.8 m-85 -67.94 -29.07 68.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.458 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 54.2 p -62.66 -32.34 73.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 110.013 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.55 -11.16 22.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.332 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.424 HG12 ' N ' ' A' ' 73' ' ' ALA . 60.9 t -102.3 -7.92 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.458 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 149.45 -167.45 29.69 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.467 1.104 . . . . 0.0 111.033 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 136.41 20.25 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.457 1.767 . . . . 0.0 110.953 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.407 ' CG1' ' HD2' ' A' ' 33' ' ' LYS . 71.9 t -106.06 122.3 59.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.477 ' CG2' ' HB2' ' A' ' 65' ' ' GLN . 59.6 t -70.87 -60.63 2.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.59 164.05 32.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.973 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.589 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.4 OUTLIER -143.23 122.22 12.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -132.4 131.66 42.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.6 ' CD1' ' CD2' ' A' ' 49' ' ' TYR . 1.3 pp -122.55 178.38 5.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.564 HG21 ' CZ ' ' A' ' 59' ' ' TYR . 3.3 m -86.33 120.92 36.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.6 ' CD2' ' CD1' ' A' ' 47' ' ' LEU . 0.9 OUTLIER -123.06 119.29 29.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 111.044 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 54' ' ' GLY . 11.9 m-20 -72.62 109.21 6.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -73.71 -29.89 62.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -70.71 -32.42 69.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 110.313 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.459 ' OG1' ' CB ' ' A' ' 50' ' ' ASP . 1.0 OUTLIER -111.89 3.48 17.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.41 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 43.1 24.72 0.31 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.455 1.097 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.404 ' N ' ' C ' ' A' ' 53' ' ' THR . 3.1 mttt -118.27 145.78 37.92 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.56 0.8 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.579 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 18.3 Cg_endo -75.02 137.51 21.77 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.54 1.81 . . . . 0.0 111.028 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.561 ' HB3' ' CE1' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -59.65 -58.59 7.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 140.64 -16.31 2.87 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.564 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 40.8 p90 -126.74 157.21 39.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 0.78 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.48 ' HA3' ' CB ' ' A' ' 47' ' ' LEU . . . -168.28 -172.93 35.74 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.518 1.136 . . . . 0.0 110.987 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.576 ' CE2' ' HG ' ' A' ' 101' ' ' LEU . 37.0 m-85 -132.82 137.53 46.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 111.034 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.589 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 26.3 t -114.71 126.79 55.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 108.308 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.476 ' HA ' ' HA ' ' A' ' 17' ' ' SER . 4.4 tt0 -99.28 130.98 45.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.254 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.468 ' CD2' ' HA ' ' A' ' 70' ' ' ALA . 7.2 m-85 -99.78 -168.61 1.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.477 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -109.59 -20.33 12.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.269 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -136.77 137.64 40.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.484 ' OE1' ' CD1' ' A' ' 71' ' ' LEU . 2.2 tm0? -57.26 -38.84 74.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 0.0 110.256 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -63.26 -37.82 88.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.461 HG22 ' CE1' ' A' ' 64' ' ' TYR . 25.7 m -66.88 -43.19 84.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 0.0 110.412 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.468 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . . . -67.89 -39.39 83.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.484 ' CD1' ' OE1' ' A' ' 67' ' ' GLN . 6.2 mt -68.38 -42.61 78.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.455 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 5.9 t -62.74 -38.8 91.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.973 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.424 ' N ' HG12 ' A' ' 39' ' ' VAL . . . -66.56 -38.56 87.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.546 ' O ' ' HB3' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -61.45 -48.5 80.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.9 ttm105 -76.76 -26.95 55.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 72' ' ' SER . 1.0 OUTLIER -77.66 -18.96 56.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.568 HD13 ' CE1' ' A' ' 36' ' ' PHE . 4.7 mt -119.39 -80.14 0.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.546 ' HB3' ' O ' ' A' ' 74' ' ' MET . 7.3 p-10 31.07 66.74 0.14 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.46 53.79 2.69 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.466 1.104 . . . . 0.0 111.014 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -88.32 121.01 30.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 110.344 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.81 135.34 47.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.331 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.494 ' O ' ' CB ' ' A' ' 83' ' ' SER . 14.1 t80 -179.7 116.69 0.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 111.029 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 82' ' ' PHE . 0.6 OUTLIER 85.12 13.89 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.972 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.48 ' O ' ' CD ' ' A' ' 85' ' ' ARG . . . 90.76 16.41 54.76 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.48 1.112 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.48 ' CD ' ' O ' ' A' ' 84' ' ' GLY . 0.0 OUTLIER -150.99 159.82 44.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 0.745 . . . . 0.0 110.309 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.55 137.92 31.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.468 ' CD1' HG12 ' A' ' 23' ' ' ILE . 1.9 mm? -90.58 87.88 6.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.93 124.8 18.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.336 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.3 t -125.32 124.23 66.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -139.63 135.91 33.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 90' ' ' ASP . 2.1 t30 -37.83 136.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -82.93 48.46 1.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -156.2 24.99 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.496 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -78.45 155.86 29.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.983 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -68.39 -33.28 73.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.1 pttt -82.22 -36.01 27.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.501 ' C ' ' OD1' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -73.54 -16.69 61.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.457 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 0.1 OUTLIER -60.71 -35.53 76.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -68.16 -37.56 81.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.333 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.48 ' OE1' ' CZ ' ' A' ' 19' ' ' PHE . 8.7 mt-10 -72.13 -42.96 65.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.576 ' HG ' ' CE2' ' A' ' 61' ' ' PHE . 2.9 mt -60.84 -38.61 86.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.7 tttt -46.33 -30.88 2.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.4 m -85.78 -33.4 21.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.032 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.483 ' CD2' ' CG1' ' A' ' 48' ' ' VAL . 0.8 OUTLIER -79.21 -9.49 59.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 101' ' ' LEU . . . -73.02 -168.57 13.11 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.493 1.121 . . . . 0.0 110.978 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 7.0 m 61.75 139.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 0.0 110.394 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -69.2 -113.08 0.03 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.493 1.121 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 60.8 80.83 0.25 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.786 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 162.65 36.82 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.457 1.767 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 18.6 m -122.03 150.1 25.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.452 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 1.9 m-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.452 ' HD3' ' N ' ' A' ' 8' ' ' ASP . 18.3 Cg_endo -75.0 140.01 24.94 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.525 1.802 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.28 -11.83 12.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 38.2 t -86.49 -33.04 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.55 -39.33 83.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.45 -41.49 80.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.483 ' HB3' ' CB ' ' A' ' 93' ' ' ALA . 0.4 OUTLIER -62.53 -39.89 95.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.982 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.465 ' HB3' ' CG ' ' A' ' 67' ' ' GLN . 1.1 mt -71.25 -12.71 61.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.457 ' HA ' ' CB ' ' A' ' 70' ' ' ALA . 13.4 mtp180 -88.56 -79.41 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.29 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.498 ' O ' ' CB ' ' A' ' 92' ' ' ALA . 16.7 m -38.55 114.01 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.025 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.449 ' CG1' ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -111.68 126.01 69.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 109.339 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.482 ' CE2' ' HB2' ' A' ' 59' ' ' TYR . 2.3 t80 -78.39 129.84 35.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.567 HG23 ' CZ ' ' A' ' 36' ' ' PHE . 2.8 t -115.67 133.43 62.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -134.35 -174.53 13.52 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.43 1.081 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.445 ' CB ' ' O ' ' A' ' 86' ' ' ALA . 7.0 m-20 62.03 24.73 14.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 0.742 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.9 mt -96.44 113.87 63.34 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.47 ' HD3' ' CB ' ' A' ' 83' ' ' SER . 18.3 Cg_endo -74.94 174.83 12.09 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.464 1.771 . . . . 0.0 111.037 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.563 ' CE2' ' HD2' ' A' ' 56' ' ' PRO . 3.8 m-85 -74.31 -4.57 36.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 111.042 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.55 -9.32 44.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.155 . . . . 0.0 110.341 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.535 ' CB ' ' CD ' ' A' ' 31' ' ' GLN . . . -121.45 105.95 10.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.5 p -95.95 176.93 5.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.355 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.459 ' HG3' ' CD1' ' A' ' 47' ' ' LEU . 24.4 mt-10 -55.32 -27.58 47.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -59.53 -33.08 70.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.656 ' NE2' ' CE1' ' A' ' 82' ' ' PHE . 0.2 OUTLIER -90.17 -45.61 8.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.26 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.462 HD11 ' CG ' ' A' ' 31' ' ' GLN . 0.4 OUTLIER -56.74 -49.02 76.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.421 ' HG3' ' CG1' ' A' ' 42' ' ' VAL . 0.2 OUTLIER -61.36 -37.71 84.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.231 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.37 -39.18 91.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.164 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.9 mt -68.09 -46.67 81.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.567 ' CZ ' HG23 ' A' ' 20' ' ' VAL . 3.9 m-85 -67.75 -29.42 68.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 111.059 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.459 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 54.5 p -63.96 -33.54 75.95 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.462 1.101 . . . . 0.0 110.0 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -63.7 -10.84 21.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.412 1.07 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.477 HG11 ' CA ' ' A' ' 73' ' ' ALA . 5.0 t -101.92 -11.07 8.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.459 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 148.26 -163.65 28.94 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.518 1.136 . . . . 0.0 110.97 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 135.29 18.85 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.499 1.789 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.421 ' CG1' ' HG3' ' A' ' 33' ' ' LYS . 70.7 t -106.14 122.31 59.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.459 HG23 ' CA ' ' A' ' 65' ' ' GLN . 2.6 t -72.91 -74.44 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.33 174.45 10.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.0 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.589 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.7 OUTLIER -167.5 113.2 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -132.99 137.34 46.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.477 ' HA ' ' CA ' ' A' ' 60' ' ' GLY . 0.2 OUTLIER -111.78 178.6 4.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.562 HG22 ' CD2' ' A' ' 59' ' ' TYR . 3.3 m -90.22 122.45 41.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.517 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 0.9 OUTLIER -127.29 119.35 26.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 54' ' ' GLY . 26.5 m-20 -71.55 109.28 5.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 78.3 mtm-85 -72.99 -31.97 64.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -71.89 -32.72 67.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 60.3 m -104.49 -3.4 24.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 110.397 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 48.43 21.43 2.0 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.5 mmtt -118.06 144.93 35.74 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 0.757 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.563 ' HD2' ' CE2' ' A' ' 25' ' ' TYR . 18.2 Cg_endo -74.97 139.59 24.54 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.48 1.779 . . . . 0.0 110.983 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.478 ' HB2' ' CG2' ' A' ' 48' ' ' VAL . 0.5 OUTLIER -61.46 -56.64 17.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.262 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 137.81 -21.37 3.2 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.544 1.152 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.562 ' CD2' HG22 ' A' ' 48' ' ' VAL . 53.1 p90 -124.64 157.25 35.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 0.789 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.477 ' CA ' ' HA ' ' A' ' 47' ' ' LEU . . . -156.35 -171.86 23.1 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.566 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 72.4 m-85 -132.33 137.76 47.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 0.764 . . . . 0.0 110.98 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.589 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 24.3 t -114.07 124.16 51.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 108.313 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.93 125.92 46.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.449 ' CD2' ' HA ' ' A' ' 70' ' ' ALA . 2.6 m-85 -95.13 -167.35 1.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.459 ' CA ' HG23 ' A' ' 43' ' ' VAL . 3.4 tt0 -114.58 -15.01 12.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.252 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -139.94 135.89 33.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.465 ' CG ' ' HB3' ' A' ' 15' ' ' LEU . 11.3 tt0 -57.44 -38.57 74.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -63.03 -37.77 88.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.0 m -67.53 -42.51 82.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.438 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.457 ' CB ' ' HA ' ' A' ' 16' ' ' ARG . . . -68.06 -39.46 83.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.9 mt -69.16 -42.15 76.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.443 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 3.6 m -64.78 -37.78 88.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.951 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.488 ' O ' ' CD1' ' A' ' 77' ' ' LEU . . . -66.76 -38.63 86.98 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.512 ' O ' ' CB ' ' A' ' 78' ' ' ASN . 0.0 OUTLIER -63.56 -47.02 83.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 111.018 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.78 -25.59 49.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.281 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 72' ' ' SER . 58.2 m-20 -75.6 -35.33 60.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.488 ' CD1' ' O ' ' A' ' 73' ' ' ALA . 6.1 mp -103.67 -91.36 0.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.512 ' CB ' ' O ' ' A' ' 74' ' ' MET . 1.2 t-20 37.72 88.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 71.74 43.16 52.06 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.479 1.112 . . . . 0.0 110.963 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.11 120.56 27.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.782 . . . . 0.0 110.313 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -60.73 135.6 57.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.656 ' CE1' ' NE2' ' A' ' 31' ' ' GLN . 5.3 t80 -178.23 -42.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.501 ' OG ' ' CD2' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -88.49 18.98 4.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.018 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.27 5.85 86.82 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.502 1.126 . . . . 0.0 111.036 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.26 -77.36 0.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 0.78 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.445 ' O ' ' CB ' ' A' ' 22' ' ' ASN . . . 171.34 139.0 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.254 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.501 ' CD2' ' OG ' ' A' ' 83' ' ' SER . 0.2 OUTLIER -89.36 94.5 9.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.04 110.61 2.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 110.288 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 38.9 t -115.42 121.55 67.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.76 154.4 46.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -54.19 122.68 10.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -57.45 -17.98 15.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.483 ' CB ' ' HB3' ' A' ' 14' ' ' SER . . . -90.73 38.46 0.95 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.406 ' HB2' ' ND2' ' A' ' 97' ' ' ASN . 0.4 OUTLIER -92.23 154.47 18.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.972 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.75 -36.89 82.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -81.47 -33.86 31.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.406 ' ND2' ' HB2' ' A' ' 94' ' ' SER . 78.9 m-20 -72.34 -19.83 61.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -64.54 -43.95 92.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -62.53 -36.05 81.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.244 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.541 ' OE1' ' CZ ' ' A' ' 59' ' ' TYR . 2.0 mm-40 -71.57 -42.94 67.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.284 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.566 ' HG ' ' CZ ' ' A' ' 61' ' ' PHE . 0.6 OUTLIER -63.02 -32.77 74.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -51.96 -28.49 16.88 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.45 -35.95 20.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.012 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.466 ' CD1' HG13 ' A' ' 48' ' ' VAL . 3.3 tp -79.41 -9.59 59.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 101' ' ' LEU . . . -88.5 -111.78 1.14 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.9 t -38.78 147.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.77 . . . . 0.0 110.412 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 79.12 69.18 1.42 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.456 1.097 . . . . 0.0 110.966 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -131.66 78.52 70.63 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.461 0.742 . . . . 0.0 109.317 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -169.49 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.544 1.813 . . . . 0.0 110.977 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 31.7 m -125.13 136.74 59.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.431 ' HB3' ' CG ' ' A' ' 67' ' ' GLN . 2.5 mt -69.54 -13.55 62.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.0 mtm-85 -111.18 76.12 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.297 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.508 ' O ' ' CB ' ' A' ' 92' ' ' ALA . 3.2 m 175.27 125.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.991 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.577 HG12 ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -117.45 125.88 74.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.418 ' CE1' ' HB2' ' A' ' 59' ' ' TYR . 24.6 t80 -79.4 129.23 34.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.912 HG12 HD11 ' A' ' 23' ' ' ILE . 2.8 t -117.25 133.22 64.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -138.66 -175.62 14.08 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.483 1.114 . . . . 0.0 111.052 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.7 t30 62.61 21.9 12.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.755 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.912 HD11 HG12 ' A' ' 20' ' ' VAL . 3.1 mt -95.43 114.43 63.86 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -175.49 2.39 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.549 1.815 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.572 ' CE2' ' HD2' ' A' ' 56' ' ' PRO . 3.6 m-85 -75.39 -4.72 41.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 111.022 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -91.6 -15.71 28.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.637 ' HB3' HG22 ' A' ' 23' ' ' ILE . . . -110.49 93.42 4.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.975 ' O ' HD22 ' A' ' 32' ' ' LEU . 7.5 p -90.88 174.81 7.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.385 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.411 ' CD ' ' O ' ' A' ' 45' ' ' PHE . 13.1 mt-10 -57.73 -30.22 65.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -61.12 -33.81 73.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.266 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -88.5 -45.18 10.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.975 HD22 ' O ' ' A' ' 28' ' ' THR . 0.3 OUTLIER -57.01 -48.84 77.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.353 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -61.24 -37.87 84.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.25 -39.19 92.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.681 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 20.2 mt -67.57 -46.97 81.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.565 ' CE1' HD22 ' A' ' 77' ' ' LEU . 3.5 m-85 -68.27 -27.53 66.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 111.011 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.485 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 35.5 p -61.48 -32.93 72.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 110.048 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -68.03 -13.51 62.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.268 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.911 HG11 ' CA ' ' A' ' 73' ' ' ALA . 24.2 t -104.88 1.07 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.485 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 133.64 176.33 14.34 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.46 1.1 . . . . 0.0 110.973 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 123.34 7.82 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.544 1.812 . . . . 0.0 111.035 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.1 m -92.79 122.2 44.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.243 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.54 HG23 ' N ' ' A' ' 65' ' ' GLN . 97.9 t -55.91 -58.92 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.346 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.88 161.91 39.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 110.022 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.592 ' CE1' HD21 ' A' ' 47' ' ' LEU . 0.6 OUTLIER -147.07 116.96 7.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 111.0 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.494 ' C ' HD23 ' A' ' 47' ' ' LEU . 7.3 mmt180 -128.14 136.61 51.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.592 HD21 ' CE1' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -117.99 174.93 5.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.998 HG21 ' CE2' ' A' ' 59' ' ' TYR . 3.4 m -88.1 121.93 39.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.556 ' CE1' ' HB3' ' A' ' 56' ' ' PRO . 1.1 m-85 -126.21 119.28 27.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 54' ' ' GLY . 15.6 m-20 -72.14 109.09 5.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -73.1 -30.34 63.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.272 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -71.31 -32.45 68.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.461 HG22 ' CD ' ' A' ' 55' ' ' LYS . 18.5 m -105.91 -4.14 21.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.41 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 51.01 19.9 3.99 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.461 ' CD ' HG22 ' A' ' 53' ' ' THR . 0.8 OUTLIER -117.92 145.49 36.84 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.53 0.783 . . . . 0.0 109.333 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.572 ' HD2' ' CE2' ' A' ' 25' ' ' TYR . 18.4 Cg_endo -74.99 137.88 22.32 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.486 1.782 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.859 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -57.87 -57.41 12.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 137.92 -18.86 3.33 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.438 1.086 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.998 ' CE2' HG21 ' A' ' 48' ' ' VAL . 26.2 p90 -124.57 156.91 36.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.753 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.537 ' HA3' HD22 ' A' ' 47' ' ' LEU . . . -161.67 -174.35 31.44 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.476 1.11 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.567 ' CE2' ' HG ' ' A' ' 101' ' ' LEU . 75.5 m-85 -131.96 139.89 48.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.754 . . . . 0.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 26.0 t -117.6 121.99 42.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 108.29 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -100.25 123.51 44.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.298 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.462 ' C ' HG23 ' A' ' 43' ' ' VAL . 9.8 m-85 -93.58 -170.7 2.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.54 ' N ' HG23 ' A' ' 43' ' ' VAL . 2.2 tt0 -109.0 -15.12 14.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -136.91 134.27 36.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.431 ' CG ' ' HB3' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -57.26 -40.82 78.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.311 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -62.36 -37.68 86.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.274 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.409 HG22 ' CE1' ' A' ' 64' ' ' TYR . 23.6 m -65.57 -44.16 87.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 110.413 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.443 ' HB2' ' HB2' ' A' ' 64' ' ' TYR . . . -67.65 -39.52 84.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.3 mt -67.47 -42.0 83.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.0 t -62.96 -38.34 90.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.967 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.911 ' CA ' HG11 ' A' ' 39' ' ' VAL . . . -66.61 -38.26 86.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.577 ' HG3' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -63.28 -46.8 85.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.6 ttm180 -77.44 -26.12 51.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.352 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -75.49 -35.05 60.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.656 HD21 HG22 ' A' ' 35' ' ' ILE . 8.2 mp -103.14 -90.92 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 74' ' ' MET . 1.5 t30 37.62 88.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.98 37.66 87.95 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.86 121.44 26.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 110.285 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.5 136.2 57.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.681 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 6.0 t80 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.687 HD13 HG12 ' A' ' 23' ' ' ILE . 0.4 OUTLIER -96.21 93.16 6.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 17.2 mtt-85 -63.82 118.78 8.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 87' ' ' LEU . 11.6 t -124.96 122.85 64.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -139.6 143.12 37.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.645 HD22 ' HB3' ' A' ' 93' ' ' ALA . 1.7 t30 -45.54 134.92 6.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -72.38 -13.33 61.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.539 1.15 . . . . 0.0 109.354 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.645 ' HB3' HD22 ' A' ' 91' ' ' ASN . . . -91.7 23.06 3.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.05 148.96 30.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.949 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -63.68 -36.34 83.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.263 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.02 -33.49 33.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.582 ' O ' HD12 ' A' ' 101' ' ' LEU . 0.9 OUTLIER -71.91 -19.79 61.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -65.16 -33.16 75.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.68 -40.43 92.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.327 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -71.44 -42.69 67.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 110.331 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.582 HD12 ' O ' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -62.87 -32.83 74.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.1 tptm -48.92 -28.73 4.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.56 -36.84 20.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.987 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.654 HD13 HG12 ' A' ' 48' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.22 -16.69 63.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.593 ' O ' ' HB1' ' A' ' 70' ' ' ALA . 23.7 mtm-85 -93.1 -61.48 1.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.604 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 16.3 m -37.49 115.0 0.37 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.963 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.489 HG12 ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -111.92 125.88 69.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.244 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.66 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 30.3 t80 -81.61 129.7 34.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 111.035 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.98 HG12 HD11 ' A' ' 23' ' ' ILE . 17.1 t -116.84 133.14 64.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.99 -175.44 13.91 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.44 ' O ' ' ND2' ' A' ' 22' ' ' ASN . 0.6 OUTLIER 62.92 22.19 13.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 109.262 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.98 HD11 HG12 ' A' ' 20' ' ' VAL . 3.2 mt -95.47 114.28 63.55 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -164.12 0.22 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.46 1.768 . . . . 0.0 110.991 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 16.8 m-30 -87.88 -8.13 56.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -88.11 -11.67 46.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.258 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -117.76 96.45 5.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.105 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.792 ' O ' HD22 ' A' ' 32' ' ' LEU . 6.4 p -90.85 174.21 7.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.369 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.503 ' HG3' HD23 ' A' ' 47' ' ' LEU . 66.6 mt-10 -57.75 -30.53 65.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 110.322 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -60.7 -33.91 73.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.332 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -86.83 -45.06 11.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.863 HD21 HG21 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -56.78 -48.64 77.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.898 ' HG3' HG11 ' A' ' 42' ' ' VAL . 1.5 ttpt -61.18 -37.74 84.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.63 -39.48 93.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.816 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 6.8 mt -68.16 -46.28 81.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.47 ' HB3' ' CG2' ' A' ' 42' ' ' VAL . 0.3 OUTLIER -67.52 -29.31 68.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.953 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 52.1 p -62.95 -33.85 76.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 110.049 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.434 ' HA ' ' OE1' ' A' ' 38' ' ' GLU . 2.2 tp10 -70.87 -12.73 61.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.321 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.966 HG21 HD11 ' A' ' 77' ' ' LEU . 20.3 t -104.0 7.06 10.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.449 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 135.02 -174.66 21.04 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 132.64 15.66 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.457 1.767 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.898 HG11 ' HG3' ' A' ' 33' ' ' LYS . 53.4 t -104.58 122.29 57.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.658 HG23 ' HB2' ' A' ' 65' ' ' GLN . 2.4 t -72.13 -59.45 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.78 163.88 34.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.006 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.589 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.7 OUTLIER -152.26 114.82 4.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 111.025 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -125.44 129.6 50.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.343 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.833 HD11 ' CE2' ' A' ' 49' ' ' TYR . 3.9 pp -116.14 177.95 4.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.986 HG21 ' CE2' ' A' ' 59' ' ' TYR . 2.9 m -86.47 121.56 37.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.833 ' CE2' HD11 ' A' ' 47' ' ' LEU . 1.1 m-85 -122.79 119.62 31.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 54' ' ' GLY . 42.5 m-20 -75.76 109.69 9.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.4 mtt-85 -72.42 -28.12 62.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.331 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -68.99 -31.33 70.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.323 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -111.28 -3.14 15.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.417 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 53.15 17.85 5.86 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.568 1.167 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -117.92 146.26 38.6 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.463 0.743 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.58 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 18.0 Cg_endo -75.03 137.42 21.63 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 0.0 110.962 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.852 ' HB2' HG23 ' A' ' 48' ' ' VAL . 2.0 mmtm -53.34 -58.26 7.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 142.53 -17.04 2.45 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.986 ' CE2' HG21 ' A' ' 48' ' ' VAL . 32.9 p90 -125.76 156.61 39.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 0.754 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.479 ' HA3' ' CB ' ' A' ' 47' ' ' LEU . . . -166.04 -170.33 30.82 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.66 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 85.4 m-85 -132.11 137.85 47.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 0.786 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.589 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 11.7 t -116.2 121.62 42.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 108.292 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -100.0 123.35 44.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.669 ' CE1' HG22 ' A' ' 69' ' ' THR . 3.2 m-85 -92.44 -167.62 1.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.658 ' HB2' HG23 ' A' ' 43' ' ' VAL . 2.6 tt0 -108.8 -17.99 13.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.258 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -136.94 132.64 34.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.508 ' HG2' HD12 ' A' ' 71' ' ' LEU . 40.7 tt0 -57.33 -37.44 72.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.77 -38.15 89.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.669 HG22 ' CE1' ' A' ' 64' ' ' TYR . 89.1 m -68.33 -41.41 80.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.35 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.593 ' HB1' ' O ' ' A' ' 16' ' ' ARG . . . -68.0 -39.47 83.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.508 HD12 ' HG2' ' A' ' 67' ' ' GLN . 5.0 mt -69.59 -43.91 71.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 93.2 p -62.79 -38.26 89.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.016 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.928 ' HA ' HG11 ' A' ' 39' ' ' VAL . . . -66.88 -38.34 86.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.647 ' HG2' HG12 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -63.32 -47.06 83.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 111.032 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -77.52 -25.44 50.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 110.304 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -75.94 -35.13 59.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.966 HD11 HG21 ' A' ' 39' ' ' VAL . 8.9 mp -103.46 -92.0 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' A' ' 74' ' ' MET . 2.7 t30 36.34 85.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.344 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 84.98 32.71 20.22 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.41 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 3.4 tpt180 -81.87 120.33 25.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 0.788 . . . . 0.0 110.263 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -61.11 138.44 58.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.816 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 46.7 t80 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.57 ' O ' HG23 ' A' ' 89' ' ' VAL . 2.7 mm? -91.41 94.91 9.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.93 99.72 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.158 . . . . 0.0 110.332 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.647 HG12 ' HG2' ' A' ' 74' ' ' MET . 30.5 t -106.47 122.59 60.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.03 154.46 47.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.65 HD22 ' HB3' ' A' ' 93' ' ' ALA . 1.2 t30 -58.51 122.12 12.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.604 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -61.67 -14.03 27.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 109.318 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.65 ' HB3' HD22 ' A' ' 91' ' ' ASN . . . -90.62 23.58 2.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.77 154.51 28.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.01 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -64.46 -36.39 84.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.8 mmtt -81.13 -33.74 33.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.592 ' O ' HD12 ' A' ' 101' ' ' LEU . 72.1 m-20 -72.12 -19.93 61.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.25 -41.9 93.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.093 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -62.64 -35.23 78.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.586 ' OE2' ' CE2' ' A' ' 19' ' ' PHE . 9.8 mt-10 -71.57 -43.22 66.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.326 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.592 HD12 ' O ' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -63.14 -32.84 74.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.72 -28.71 15.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.3 t -85.49 -34.89 21.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.989 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.64 HD13 HG12 ' A' ' 48' ' ' VAL . 1.2 tp . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.51 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -69.47 -14.02 62.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.8 mtm-85 -107.78 71.62 0.82 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.503 ' O ' ' CB ' ' A' ' 92' ' ' ALA . 3.3 m 176.31 126.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.015 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.494 HG12 ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -119.07 125.98 74.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.279 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.587 ' CD2' ' OD1' ' A' ' 97' ' ' ASN . 1.7 t80 -79.48 129.44 34.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.559 ' HB ' HD11 ' A' ' 23' ' ' ILE . 2.2 t -115.93 133.31 62.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -134.83 174.54 21.04 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 t30 71.68 23.38 3.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 109.259 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.571 HG12 HD13 ' A' ' 87' ' ' LEU . 3.4 mt -95.13 114.2 63.18 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -179.54 5.09 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.473 1.775 . . . . 0.0 111.026 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -75.6 -5.07 43.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.56 -9.95 42.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.431 ' HB1' HD11 ' A' ' 32' ' ' LEU . . . -114.44 96.1 5.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.118 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.937 ' O ' HD22 ' A' ' 32' ' ' LEU . 10.3 p -90.63 174.74 7.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.398 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.557 ' HG3' HD11 ' A' ' 47' ' ' LEU . 36.0 mt-10 -57.54 -30.04 64.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 110.334 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -60.76 -33.56 73.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -89.95 -45.16 9.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.937 HD22 ' O ' ' A' ' 28' ' ' THR . 0.2 OUTLIER -57.27 -49.11 77.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.737 ' HG3' HG11 ' A' ' 42' ' ' VAL . 2.8 ttpp -61.76 -37.66 85.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.429 1.081 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.61 -38.54 89.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.966 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 8.0 mt -68.27 -47.22 79.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -68.15 -29.31 68.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.443 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 60.9 p -63.57 -35.19 79.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 109.984 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.406 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 15.0 tp10 -70.83 -12.59 61.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.248 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.704 HG11 ' HA ' ' A' ' 73' ' ' ALA . 1.7 t -104.17 7.17 10.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.443 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 135.03 -177.23 19.49 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 122.82 7.44 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.474 1.776 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.737 HG11 ' HG3' ' A' ' 33' ' ' LYS . 11.1 p -100.93 123.03 53.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.473 ' CG2' ' HB2' ' A' ' 65' ' ' GLN . 30.9 t -72.06 -76.15 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.5 p -134.87 160.93 36.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.983 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.587 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.8 OUTLIER -152.66 115.1 4.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.9 mtt-85 -130.95 140.91 50.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.287 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.744 HD23 ' HA3' ' A' ' 60' ' ' GLY . 0.2 OUTLIER -118.33 176.86 5.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.992 HG12 HD13 ' A' ' 104' ' ' LEU . 3.5 m -87.14 121.57 38.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.53 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 1.0 OUTLIER -124.83 119.24 28.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.579 1.174 . . . . 0.0 110.97 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 54' ' ' GLY . 17.1 m-20 -72.74 109.54 6.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.6 mtt-85 -72.58 -29.71 63.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -70.81 -31.38 68.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.3 p -108.32 -3.32 18.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.371 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 51.32 18.83 3.66 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 3.6 mttt -118.21 145.25 36.62 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.483 0.754 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.53 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . 18.4 Cg_endo -74.96 137.69 22.14 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.483 1.781 . . . . 0.0 111.012 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.881 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -55.99 -57.37 12.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 141.3 -19.73 2.64 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.504 1.128 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.89 ' O ' HG22 ' A' ' 48' ' ' VAL . 41.0 p90 -123.87 156.93 35.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.744 ' HA3' HD23 ' A' ' 47' ' ' LEU . . . -159.47 -174.0 28.65 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.569 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 80.3 m-85 -132.14 139.92 48.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 0.767 . . . . 0.0 111.023 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.587 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 9.7 t -117.83 121.48 40.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 108.295 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -99.92 123.41 44.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 110.275 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.887 ' CE2' HG22 ' A' ' 69' ' ' THR . 2.2 m-30 -94.22 -168.29 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.473 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . 1.0 OUTLIER -114.19 -13.42 12.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -132.97 131.24 40.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.244 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.465 ' CG ' ' HB3' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -60.74 -42.92 98.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 110.325 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -60.0 -37.69 80.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.887 HG22 ' CE2' ' A' ' 64' ' ' TYR . 94.2 m -67.01 -41.84 85.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.415 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.96 -39.41 90.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.257 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.521 ' C ' HD12 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -69.5 -48.39 60.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.422 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 3.4 m -59.98 -37.51 79.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.583 1.177 . . . . 0.0 109.986 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.704 ' HA ' HG11 ' A' ' 39' ' ' VAL . . . -66.7 -38.45 86.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.705 ' HG2' HG12 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -63.58 -47.27 82.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.978 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.76 -25.55 49.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.422 ' CB ' ' O ' ' A' ' 72' ' ' SER . 3.8 m120 -75.9 -35.2 59.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.667 HD11 HG21 ' A' ' 39' ' ' VAL . 4.2 mt -103.62 -91.79 0.36 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.513 ' CB ' ' O ' ' A' ' 74' ' ' MET . 1.3 t-20 37.38 87.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 78.12 37.99 27.33 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.457 1.098 . . . . 0.0 111.034 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.27 120.86 26.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 0.748 . . . . 0.0 110.302 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.81 133.77 55.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.966 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 11.6 t80 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.611 ' O ' HG23 ' A' ' 89' ' ' VAL . 1.7 mm? -90.52 94.54 9.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -64.59 100.86 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.705 HG12 ' HG2' ' A' ' 74' ' ' MET . 42.7 t -106.27 122.04 59.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.356 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -139.97 137.56 34.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.706 HD22 ' HB3' ' A' ' 93' ' ' ALA . 2.1 t30 -40.27 135.34 1.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -73.52 -12.5 60.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.706 ' HB3' HD22 ' A' ' 91' ' ' ASN . . . -91.97 25.28 2.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.34 150.1 27.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.007 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -65.74 -36.54 83.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.329 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.66 -33.59 58.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.702 ' O ' HD12 ' A' ' 101' ' ' LEU . 1.9 m-80 -72.12 -19.78 61.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -64.54 -34.25 77.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.083 . . . . 0.0 109.263 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -66.21 -42.29 88.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.147 . . . . 0.0 110.257 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.554 ' HG2' ' CE2' ' A' ' 59' ' ' TYR . 0.7 OUTLIER -71.45 -42.79 67.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.702 HD12 ' O ' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -62.41 -32.84 73.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -54.31 -30.55 51.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.143 . . . . 0.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.1 t -85.72 -35.04 21.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.995 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.992 HD13 HG12 ' A' ' 48' ' ' VAL . 6.5 tp . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.894 HD13 ' OE1' ' A' ' 67' ' ' GLN . 8.1 mt -72.15 -12.6 61.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.6 mtp180 -115.08 54.57 0.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.584 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 36.2 m -164.3 126.25 2.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.009 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -123.72 125.68 71.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.564 ' CZ ' ' OE1' ' A' ' 100' ' ' GLU . 42.5 t80 -78.01 129.13 34.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.951 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.694 HG12 HD11 ' A' ' 23' ' ' ILE . 2.2 t -119.23 132.96 67.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -140.63 -176.45 15.26 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.499 1.124 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.414 ' HB2' ' NH1' ' A' ' 88' ' ' ARG . 21.9 t-20 58.6 29.4 18.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 0.789 . . . . 0.0 109.275 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.903 HD13 HD21 ' A' ' 32' ' ' LEU . 2.0 mt -99.16 118.89 61.86 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.252 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 173.74 13.99 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.481 1.78 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.524 ' CZ ' ' HD2' ' A' ' 56' ' ' PRO . 3.6 m-30 -73.63 -1.99 21.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -91.41 -9.62 44.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.329 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.573 ' HB1' HD11 ' A' ' 32' ' ' LEU . . . -114.72 98.23 6.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.349 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.542 ' O ' HD13 ' A' ' 32' ' ' LEU . 6.3 p -90.2 174.08 7.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.382 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.591 ' HG3' HD11 ' A' ' 47' ' ' LEU . 22.0 mt-10 -57.88 -30.85 66.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -63.64 -33.25 75.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.562 1.163 . . . . 0.0 110.34 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -86.94 -45.2 11.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.917 ' HA ' HD12 ' A' ' 35' ' ' ILE . 10.8 mp -58.77 -49.36 77.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.79 ' HG3' HG11 ' A' ' 42' ' ' VAL . 4.2 tttt -57.64 -37.76 73.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.402 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 0.5 OUTLIER -66.31 -37.0 84.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.94 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 8.5 mt -68.09 -47.89 76.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -68.89 -29.04 67.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.464 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 68.7 p -63.0 -33.53 75.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 109.998 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.402 ' CG ' ' O ' ' A' ' 34' ' ' ASP . 2.5 mt-10 -65.54 -12.54 53.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.585 1.178 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.962 HG11 ' HA ' ' A' ' 73' ' ' ALA . 4.3 t -103.96 7.26 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.464 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 130.18 -171.3 20.56 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 119.43 5.64 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.546 1.814 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.79 HG11 ' HG3' ' A' ' 33' ' ' LYS . 11.1 p -92.74 122.15 43.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.754 HG12 ' N ' ' A' ' 44' ' ' SER . 2.3 t -66.07 -81.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.754 ' N ' HG12 ' A' ' 43' ' ' VAL . 0.1 OUTLIER -132.55 167.46 19.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 110.004 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' A' ' 62' ' ' CYS . 0.8 OUTLIER -160.76 114.21 2.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -132.84 142.13 48.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.316 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.768 HD23 ' HA3' ' A' ' 60' ' ' GLY . 0.2 OUTLIER -116.72 176.67 5.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.92 HG21 ' CE2' ' A' ' 59' ' ' TYR . 3.7 m -88.2 121.67 38.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 2.5 m-85 -123.81 119.35 29.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 111.053 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 54' ' ' GLY . 3.8 m-20 -74.2 108.19 6.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.4 mtt-85 -73.12 -27.72 61.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.24 -29.69 67.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.244 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.641 HG23 ' CD ' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -111.04 -6.62 14.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.363 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 58.36 17.66 33.02 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.641 ' CD ' HG23 ' A' ' 53' ' ' THR . 0.7 OUTLIER -119.78 145.62 39.83 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.576 0.81 . . . . 0.0 109.26 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.524 ' HD2' ' CZ ' ' A' ' 25' ' ' TYR . 18.3 Cg_endo -74.97 137.84 22.31 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.507 1.793 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.837 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -53.31 -57.49 10.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 141.9 -20.24 2.52 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.504 1.127 . . . . 0.0 110.965 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.92 ' CE2' HG21 ' A' ' 48' ' ' VAL . 32.9 p90 -122.74 156.51 34.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 0.768 . . . . 0.0 111.048 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.768 ' HA3' HD23 ' A' ' 47' ' ' LEU . . . -157.59 -175.04 28.07 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.559 ' CE2' ' HG ' ' A' ' 101' ' ' LEU . 75.6 m-85 -132.2 139.68 48.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 0.784 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.574 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 27.0 t -117.79 123.07 45.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 108.261 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -99.76 125.37 45.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.284 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.467 ' CD2' ' HA ' ' A' ' 70' ' ' ALA . 2.5 m-85 -94.34 -167.09 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.519 ' HB2' HG23 ' A' ' 43' ' ' VAL . 0.1 OUTLIER -112.74 -15.22 13.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -141.48 133.81 28.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.894 ' OE1' HD13 ' A' ' 15' ' ' LEU . 3.8 tt0 -57.39 -37.93 73.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 110.272 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -61.66 -38.59 88.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.3 m -68.1 -41.22 82.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 0.0 110.372 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.467 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . . . -67.89 -38.93 83.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.5 mt -69.22 -46.05 68.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.6 t -62.31 -38.44 89.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.986 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.962 ' HA ' HG11 ' A' ' 39' ' ' VAL . . . -66.26 -38.05 86.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.533 ' O ' ' CB ' ' A' ' 78' ' ' ASN . 5.5 mtp -62.59 -46.45 88.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 111.041 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -77.22 -25.8 52.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -75.66 -35.27 60.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.673 HD21 HG22 ' A' ' 35' ' ' ILE . 7.5 mp -104.75 -91.35 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.533 ' CB ' ' O ' ' A' ' 74' ' ' MET . 1.6 t30 39.59 90.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 69.62 35.43 74.43 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.543 1.152 . . . . 0.0 110.962 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.83 120.86 25.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 0.772 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -53.95 140.63 30.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.341 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.94 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 38.7 t80 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.589 HD21 HG23 ' A' ' 23' ' ' ILE . 7.8 mt -95.63 85.5 4.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.414 ' NH1' ' HB2' ' A' ' 22' ' ' ASN . 0.0 OUTLIER -60.23 118.82 6.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 87' ' ' LEU . 78.2 t -125.64 123.49 64.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -139.99 137.12 34.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.457 ' N ' ' SD ' ' A' ' 74' ' ' MET . 0.6 OUTLIER -40.53 122.88 1.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -64.47 -11.88 38.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -90.23 22.81 3.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.6 t -79.7 154.58 28.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.01 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -67.31 -33.03 74.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.122 . . . . 0.0 110.315 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.19 -34.09 32.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.621 ' O ' HD12 ' A' ' 101' ' ' LEU . 86.7 m-20 -72.45 -19.63 61.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 11.2 tttm -64.18 -39.01 93.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -65.36 -38.39 89.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.564 ' OE1' ' CZ ' ' A' ' 19' ' ' PHE . 7.8 mt-10 -71.62 -42.98 66.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.621 HD12 ' O ' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -62.89 -32.95 74.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.9 ttpp -49.82 -28.76 6.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.268 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.58 -36.3 20.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.995 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.742 HD13 HG12 ' A' ' 48' ' ' VAL . 1.5 tp . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.431 ' HB3' ' CG ' ' A' ' 67' ' ' GLN . 10.1 mt -69.45 -13.75 62.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.4 mtm-85 -110.04 59.99 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.584 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 25.2 m -170.79 122.6 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.017 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.476 HG23 ' HE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -118.25 125.65 74.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.537 ' CD1' ' OD2' ' A' ' 90' ' ' ASP . 2.8 t80 -79.85 129.29 34.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.936 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.786 HG12 HD11 ' A' ' 23' ' ' ILE . 2.2 t -115.31 133.01 62.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -140.25 -178.19 16.71 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.478 1.111 . . . . 0.0 111.025 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 23.6 t30 56.92 32.13 20.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 0.799 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.961 HD13 HD21 ' A' ' 32' ' ' LEU . 1.3 mt -101.95 122.29 47.73 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 168.49 24.71 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.461 1.769 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.571 ' CE2' ' HD2' ' A' ' 56' ' ' PRO . 3.4 m-85 -69.42 -5.9 26.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.15 -9.62 52.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.648 ' HB3' HG22 ' A' ' 23' ' ' ILE . . . -113.77 98.06 6.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.24 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.525 ' O ' HD13 ' A' ' 32' ' ' LEU . 10.2 p -90.02 174.09 7.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.413 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.774 ' HG3' HD11 ' A' ' 47' ' ' LEU . 19.1 mt-10 -58.03 -30.28 66.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.44 -33.18 74.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.329 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -87.9 -45.51 10.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.963 ' HA ' HD12 ' A' ' 35' ' ' ILE . 11.0 mp -59.19 -49.31 78.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -57.06 -37.92 72.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.9 -41.11 97.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.963 HD12 ' HA ' ' A' ' 32' ' ' LEU . 5.8 mt -65.69 -47.01 87.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.488 ' HZ ' HG22 ' A' ' 20' ' ' VAL . 3.4 m-85 -67.96 -28.37 67.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.535 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -62.15 -32.42 73.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.0 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -62.77 -11.37 17.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.981 HG11 ' HB2' ' A' ' 73' ' ' ALA . 86.7 t -102.39 -10.42 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.535 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 147.13 -171.36 27.84 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.448 1.092 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 121.03 6.33 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.522 1.801 . . . . 0.0 111.037 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.473 ' CG1' ' SG ' ' A' ' 62' ' ' CYS . 2.2 t -86.05 126.44 40.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.459 ' CG2' ' HB2' ' A' ' 65' ' ' GLN . 23.6 t -75.13 -70.87 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 98.7 p -140.02 164.32 30.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.998 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.594 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.7 OUTLIER -158.71 115.31 2.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.995 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.62 135.09 41.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 110.287 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.774 HD11 ' HG3' ' A' ' 29' ' ' GLU . 0.2 OUTLIER -110.86 176.47 5.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.344 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.91 HG23 ' HB2' ' A' ' 57' ' ' LYS . 3.5 m -87.01 121.93 38.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 1.0 OUTLIER -125.85 119.71 28.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 1.013 ' HB3' HG22 ' A' ' 53' ' ' THR . 14.5 m-20 -76.17 110.02 10.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.9 mtp-105 -71.89 -27.34 62.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -68.26 -32.19 72.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.249 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . 1.013 HG22 ' HB3' ' A' ' 50' ' ' ASP . 8.5 t -112.16 -0.71 15.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.355 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 49.41 21.25 2.89 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.483 1.114 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.552 ' H ' HG23 ' A' ' 53' ' ' THR . 2.3 mttt -117.85 146.06 38.07 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.487 0.757 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.571 ' HD2' ' CE2' ' A' ' 25' ' ' TYR . 18.3 Cg_endo -74.96 137.76 22.23 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.517 1.799 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.91 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -56.97 -57.25 13.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 141.98 -19.61 2.52 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.904 ' CE2' HG21 ' A' ' 48' ' ' VAL . 31.0 p90 -124.52 156.63 37.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.773 . . . . 0.0 111.02 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.758 ' HA3' HD23 ' A' ' 47' ' ' LEU . . . -157.95 -175.09 28.48 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.57 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 73.8 m-85 -132.41 140.29 48.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.768 . . . . 0.0 110.954 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.594 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 14.1 t -121.05 124.32 44.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 108.287 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -99.87 123.32 44.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.259 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -93.16 -169.65 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.98 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.459 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . 3.0 tt0 -115.12 -14.63 11.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -129.95 132.18 46.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.351 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.431 ' CG ' ' HB3' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -62.55 -45.61 92.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 110.27 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -59.9 -37.38 79.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 39' ' ' VAL . 53.1 m -65.5 -43.71 89.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.404 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.63 -39.19 93.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.531 ' C ' HD12 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -68.95 -48.5 63.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.428 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 1.4 t -60.03 -37.46 79.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.999 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.981 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -66.69 -38.85 87.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.523 ' O ' ' CB ' ' A' ' 78' ' ' ASN . 3.3 mtp -64.57 -46.5 82.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.949 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -77.68 -25.63 49.63 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.428 ' CB ' ' O ' ' A' ' 72' ' ' SER . 68.7 m-20 -76.19 -36.07 58.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.697 HD21 HG22 ' A' ' 35' ' ' ILE . 9.9 mp -102.08 -91.45 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.523 ' CB ' ' O ' ' A' ' 74' ' ' MET . 1.6 t-20 37.29 89.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 73.24 33.11 59.43 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.92 121.21 26.21 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.459 0.74 . . . . 0.0 110.334 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.4 139.78 52.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.897 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 29.9 t80 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.97 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.75 HD23 ' CG1' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -90.28 93.6 9.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.06 102.08 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 87' ' ' LEU . 25.4 t -109.33 122.49 64.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.537 ' OD2' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -139.9 138.88 36.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.455 ' N ' ' SD ' ' A' ' 74' ' ' MET . 0.5 OUTLIER -44.7 125.44 4.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -65.5 -11.8 46.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -91.99 26.54 2.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.9 151.08 30.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.996 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -63.92 -36.83 85.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 110.321 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.35 -33.87 32.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.346 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.619 ' O ' HD12 ' A' ' 101' ' ' LEU . 5.0 m-20 -72.23 -19.9 61.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.41 -39.08 91.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 109.25 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -65.09 -39.16 92.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.292 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.59 -42.75 67.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.619 HD12 ' O ' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -62.91 -32.87 74.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 109.254 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -52.57 -28.56 21.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.5 m -85.49 -36.93 20.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.988 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.852 HD13 HG12 ' A' ' 48' ' ' VAL . 4.3 tp . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.44 -13.73 62.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.127 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.523 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 22.2 mtm-85 -89.37 -65.24 1.04 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.348 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.577 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 2.4 p -34.13 120.34 0.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.971 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.637 HG22 HG13 ' A' ' 89' ' ' VAL . 5.0 p -116.21 123.9 71.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.595 ' CD1' ' OD2' ' A' ' 90' ' ' ASP . 0.6 OUTLIER -77.4 143.85 38.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 111.016 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 1.03 HG12 HD11 ' A' ' 23' ' ' ILE . 59.6 t -134.23 132.95 55.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -141.09 -170.89 12.35 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.528 1.143 . . . . 0.0 111.03 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.4 t30 54.6 32.86 17.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 0.729 . . . . 0.0 109.271 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 1.03 HD11 HG12 ' A' ' 20' ' ' VAL . 2.8 mt -96.28 127.24 41.02 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.548 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 18.0 Cg_endo -75.04 159.04 41.71 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.498 1.788 . . . . 0.0 111.0 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -63.13 -11.33 19.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.11 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -91.56 -9.73 43.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.548 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . . . -108.88 94.9 5.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.891 ' O ' HD22 ' A' ' 32' ' ' LEU . 14.4 p -90.43 174.48 7.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.425 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.403 ' OE2' ' O ' ' A' ' 45' ' ' PHE . 7.9 mt-10 -57.69 -30.21 65.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 110.336 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -60.51 -33.64 72.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -89.37 -44.89 9.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.891 HD22 ' O ' ' A' ' 28' ' ' THR . 0.1 OUTLIER -56.89 -49.12 76.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.959 ' CG ' HG21 ' A' ' 42' ' ' VAL . 1.6 ttpt -60.98 -38.07 84.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -64.86 -38.69 91.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.794 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 7.6 mt -68.06 -46.98 80.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.746 ' HE2' HG21 ' A' ' 20' ' ' VAL . 1.0 OUTLIER -68.43 -27.22 65.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 111.014 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.437 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 31.3 p -60.75 -40.3 91.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.016 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -70.29 -14.09 62.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.286 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.876 HG21 HD11 ' A' ' 77' ' ' LEU . 3.0 t -105.47 7.24 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.437 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 137.58 163.37 9.64 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.544 1.153 . . . . 0.0 111.068 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 117.85 5.06 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.5 1.789 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.959 HG21 ' CG ' ' A' ' 33' ' ' LYS . 18.1 m -87.29 127.37 40.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.465 ' CG2' ' HG3' ' A' ' 65' ' ' GLN . 69.0 t -72.2 -56.57 9.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.7 167.06 25.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.008 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.71 ' CE1' HD21 ' A' ' 47' ' ' LEU . 0.7 OUTLIER -159.67 118.55 2.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.56 ' C ' HD23 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -136.15 131.04 34.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.324 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.71 HD21 ' CE1' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -109.43 175.42 5.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.037 HG12 HD13 ' A' ' 104' ' ' LEU . 4.2 m -88.18 121.67 38.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 0.9 OUTLIER -126.24 118.94 26.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 54' ' ' GLY . 45.0 m-20 -71.43 109.45 5.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.412 ' NH1' ' HB2' ' A' ' 51' ' ' ARG . 19.5 mtm105 -73.03 -30.38 63.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.307 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -71.24 -31.65 67.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.293 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.9 p -107.7 -3.09 19.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 110.321 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 49.7 20.57 2.87 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.5 1.125 . . . . 0.0 110.962 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -117.93 145.14 36.03 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.445 0.732 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . 18.3 Cg_endo -75.02 137.85 22.21 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.523 1.802 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.9 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.3 OUTLIER -58.47 -57.6 12.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 139.09 -17.77 3.16 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.921 ' CE2' HG21 ' A' ' 48' ' ' VAL . 37.8 p90 -125.67 157.08 38.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.776 . . . . 0.0 111.049 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.645 ' HA3' HD22 ' A' ' 47' ' ' LEU . . . -160.71 -175.99 32.32 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.565 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 70.3 m-85 -131.85 136.93 47.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 0.797 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.577 ' HB2' ' CE1' ' A' ' 45' ' ' PHE . 12.1 t -114.8 124.59 52.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 108.291 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -98.7 122.57 42.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.702 ' CE1' HG22 ' A' ' 69' ' ' THR . 2.3 m-85 -92.13 -166.96 1.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.465 ' HG3' ' CG2' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -111.62 -12.63 13.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.266 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.7 133.07 23.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -56.54 -35.72 68.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -61.21 -37.06 81.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.702 HG22 ' CE1' ' A' ' 64' ' ' TYR . 98.8 m -68.38 -42.88 78.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.376 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 16' ' ' ARG . . . -65.59 -40.01 92.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.252 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.417 HD23 ' HE3' ' A' ' 74' ' ' MET . 6.9 mt -70.51 -46.15 64.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.356 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.8 t -61.45 -38.87 88.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.724 ' HA ' HG11 ' A' ' 39' ' ' VAL . . . -66.56 -38.18 86.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.646 ' CG ' HG12 ' A' ' 89' ' ' VAL . 0.9 OUTLIER -62.92 -46.9 85.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.999 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.78 -24.85 48.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.258 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -74.86 -35.93 62.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.326 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.876 HD11 HG21 ' A' ' 39' ' ' VAL . 9.7 mp -103.71 -93.48 0.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.532 ' CB ' ' O ' ' A' ' 74' ' ' MET . 6.2 t30 32.37 82.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 92.5 33.31 7.61 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -90.84 120.11 31.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 110.269 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -65.9 139.5 58.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.311 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.794 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 39.4 t80 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.789 HD12 ' HB3' ' A' ' 82' ' ' PHE . 0.2 OUTLIER -107.63 96.1 6.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.434 ' O ' ' HA ' ' A' ' 20' ' ' VAL . 47.1 mtt-85 -81.77 127.55 33.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.646 HG12 ' CG ' ' A' ' 74' ' ' MET . 57.3 t -125.95 130.14 72.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.595 ' OD2' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -140.18 154.45 46.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.341 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.443 ' OD1' ' CE ' ' A' ' 74' ' ' MET . 0.8 OUTLIER -60.58 122.67 15.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -61.78 -14.11 29.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.437 ' HB3' HD22 ' A' ' 91' ' ' ASN . . . -91.33 22.23 4.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.2 t -79.67 150.37 30.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.007 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -67.99 -32.01 72.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.311 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.8 pttt -81.03 -34.5 32.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.738 ' O ' HD12 ' A' ' 101' ' ' LEU . 5.8 m-20 -72.66 -19.71 61.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.25 -32.62 74.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.19 -41.7 85.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -71.59 -43.01 67.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.738 HD12 ' O ' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -62.93 -32.9 74.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 29.2 tttt -55.25 -28.88 56.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.7 m -85.5 -34.35 21.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.977 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 1.037 HD13 HG12 ' A' ' 48' ' ' VAL . 7.0 tp . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.457 ' HB3' ' CG ' ' A' ' 67' ' ' GLN . 0.1 OUTLIER -69.1 -18.08 63.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -99.58 50.83 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.239 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.534 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 35.2 m -164.51 123.96 1.92 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.476 HG12 ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -119.84 125.6 74.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.572 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 15.9 t80 -77.78 129.39 35.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.543 HG13 HG22 ' A' ' 89' ' ' VAL . 2.1 t -121.79 132.91 69.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -136.1 -167.84 11.34 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 51.34 30.52 6.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 0.749 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.95 HD13 HD11 ' A' ' 32' ' ' LEU . 1.2 mt -98.06 114.44 65.11 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 176.46 9.88 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.505 1.792 . . . . 0.0 111.055 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.57 ' CE2' ' HD2' ' A' ' 56' ' ' PRO . 3.9 m-85 -73.18 -3.07 24.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 111.019 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -91.53 -9.89 42.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.536 ' HB2' ' HE1' ' A' ' 82' ' ' PHE . . . -116.42 96.69 5.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.2 p -90.55 173.82 7.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.363 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.68 ' HG3' HD11 ' A' ' 47' ' ' LEU . 14.8 mt-10 -57.94 -31.32 66.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -63.77 -33.26 75.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -84.53 -44.72 13.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.95 HD11 HD13 ' A' ' 23' ' ' ILE . 16.4 mt -58.95 -49.21 78.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.886 ' HG3' HG21 ' A' ' 42' ' ' VAL . 2.2 ttpt -57.4 -37.84 73.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.118 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.1 -36.49 82.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.885 HG22 HD21 ' A' ' 77' ' ' LEU . 10.9 mt -67.97 -48.25 75.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.482 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 1.7 m-85 -69.48 -27.94 65.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.502 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -61.86 -33.08 73.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.987 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -69.8 -13.63 62.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.936 HG11 ' HA ' ' A' ' 73' ' ' ALA . 40.2 t -104.87 -1.01 9.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.502 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 138.75 173.22 12.89 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 118.77 5.38 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.474 1.776 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.886 HG21 ' HG3' ' A' ' 33' ' ' LYS . 3.1 m -85.74 148.01 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.775 HG23 ' HB2' ' A' ' 65' ' ' GLN . 2.3 t -83.48 -49.99 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.64 166.76 13.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.963 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.682 ' CE1' ' CD2' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -149.74 117.8 6.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.6 mtm-85 -125.42 131.88 52.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.682 ' CD2' ' CE1' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -117.85 171.24 8.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.975 HG21 ' CZ ' ' A' ' 59' ' ' TYR . 3.1 m -86.32 121.78 37.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.553 ' CE1' ' HB3' ' A' ' 56' ' ' PRO . 0.9 OUTLIER -124.93 118.92 27.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 111.021 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 54' ' ' GLY . 68.5 m-20 -71.08 109.13 4.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.097 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -73.01 -29.89 63.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.288 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -71.02 -32.33 69.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.323 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.6 m -106.72 -4.38 19.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.429 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 53.9 17.5 7.24 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.539 1.149 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.7 mmtm -117.93 145.5 36.88 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.553 0.796 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.57 ' HD2' ' CE2' ' A' ' 25' ' ' TYR . 18.2 Cg_endo -74.95 137.59 22.04 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.492 1.785 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.824 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -53.84 -58.29 7.8 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 140.56 -17.01 2.87 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.452 1.095 . . . . 0.0 111.021 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.975 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 52.1 p90 -125.25 157.77 35.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 0.749 . . . . 0.0 110.973 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -164.67 -173.67 33.56 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.472 1.107 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.578 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 65.8 m-85 -132.2 145.72 51.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 0.778 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.589 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 11.6 t -121.93 124.45 44.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 108.312 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -100.2 127.26 46.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.585 ' CE1' HG22 ' A' ' 69' ' ' THR . 4.4 m-85 -98.54 -173.67 2.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 111.031 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.775 ' HB2' HG23 ' A' ' 43' ' ' VAL . 3.1 tm0? -113.83 -15.21 12.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -130.41 134.13 46.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.457 ' CG ' ' HB3' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -59.29 -47.99 83.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.257 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -60.68 -36.68 79.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.338 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.585 HG22 ' CE1' ' A' ' 64' ' ' TYR . 53.8 m -64.3 -44.56 91.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.402 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.492 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . . . -67.71 -40.44 84.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.7 mt -67.67 -38.6 83.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 36.7 m -65.63 -38.25 88.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.13 . . . . 0.0 109.999 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.936 ' HA ' HG11 ' A' ' 39' ' ' VAL . . . -66.45 -38.72 87.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.613 ' HG2' HG12 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -63.45 -46.74 84.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 111.047 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.66 -25.77 49.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -75.79 -35.2 60.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.335 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.885 HD21 HG22 ' A' ' 35' ' ' ILE . 6.0 mp -104.42 -91.05 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.527 ' CB ' ' O ' ' A' ' 74' ' ' MET . 1.8 t30 39.47 90.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 61.03 40.75 98.94 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.1 131.3 34.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.752 . . . . 0.0 110.326 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.65 132.1 47.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.26 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.608 ' CE2' HD11 ' A' ' 35' ' ' ILE . 2.4 t80 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.107 . . . . 0.0 111.032 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.681 HD21 HG23 ' A' ' 23' ' ' ILE . 7.9 mt -105.38 93.66 4.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 61.8 mtt85 -62.89 119.77 10.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.316 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 87' ' ' LEU . 24.5 t -125.55 125.93 69.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -139.23 154.55 48.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.435 ' OD1' ' HB3' ' A' ' 93' ' ' ALA . 1.4 t-20 -57.83 129.3 41.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -68.16 -9.58 47.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 109.26 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.435 ' HB3' ' OD1' ' A' ' 91' ' ' ASN . . . -96.89 19.34 12.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.425 ' HB3' ' ND2' ' A' ' 97' ' ' ASN . 5.3 t -79.76 152.31 29.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.022 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -59.92 -37.13 78.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -81.82 -26.58 34.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.78 ' O ' HD12 ' A' ' 101' ' ' LEU . 1.4 m-80 -71.99 -22.57 61.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.6 mttp -68.26 -35.85 78.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.83 -42.57 90.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.26 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.58 -43.01 67.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.334 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.78 HD12 ' O ' ' A' ' 97' ' ' ASN . 0.4 OUTLIER -61.6 -32.88 73.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.1 tttt -54.06 -32.36 54.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.5 m -86.26 -24.14 26.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.998 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.736 ' CD2' HG13 ' A' ' 48' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.541 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -70.24 -13.04 62.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.2 mtm-85 -112.17 75.42 0.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.464 ' HB3' ' CB ' ' A' ' 92' ' ' ALA . 0.1 OUTLIER 175.37 143.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.953 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.577 HG12 ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -125.06 125.93 70.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.521 ' CE1' ' OE2' ' A' ' 100' ' ' GLU . 21.5 t80 -74.72 129.41 37.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.607 ' CG1' HD12 ' A' ' 87' ' ' LEU . 1.8 t -115.37 133.25 62.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -145.52 -179.67 21.96 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.6 t30 61.75 32.09 18.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 0.736 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.906 HD13 HD11 ' A' ' 32' ' ' LEU . 2.2 mt -98.77 140.55 21.85 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.566 ' HD2' HG22 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.03 -162.47 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.556 1.819 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -97.5 -26.69 14.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.12 -9.54 58.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.148 . . . . 0.0 110.351 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.569 ' HB3' HG22 ' A' ' 23' ' ' ILE . . . -102.87 94.02 5.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.2 p -89.81 174.36 7.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 110.379 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.476 ' HG3' HD23 ' A' ' 47' ' ' LEU . 25.2 mt-10 -57.63 -31.57 66.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.82 -33.65 75.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -84.62 -44.41 13.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.066 HD21 HD11 ' A' ' 87' ' ' LEU . 20.1 mt -57.97 -49.53 76.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.951 ' HG3' HG11 ' A' ' 42' ' ' VAL . 1.8 ttpm? -57.27 -38.16 73.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.65 -35.92 81.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.95 HD12 ' HA ' ' A' ' 32' ' ' LEU . 9.1 mt -68.33 -48.41 73.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -68.93 -29.44 67.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 111.035 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.446 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 75.6 p -63.35 -36.74 84.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.985 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -69.66 -12.5 61.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.74 HG11 ' HA ' ' A' ' 73' ' ' ALA . 2.5 t -104.01 7.04 10.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.446 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 139.97 -178.37 19.85 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.503 1.127 . . . . 0.0 110.983 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 121.24 6.46 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.508 1.793 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.951 HG11 ' HG3' ' A' ' 33' ' ' LYS . 24.4 t -92.37 139.07 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.485 ' CG2' ' HB2' ' A' ' 65' ' ' GLN . 47.4 t -94.19 -70.47 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.88 171.76 14.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.0 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.591 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.5 OUTLIER -166.05 114.63 0.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.99 128.68 40.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.832 HD11 ' CE2' ' A' ' 49' ' ' TYR . 4.1 pp -113.68 178.21 4.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.987 HG21 ' CE2' ' A' ' 59' ' ' TYR . 2.8 m -86.9 121.54 37.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.832 ' CE2' HD11 ' A' ' 47' ' ' LEU . 1.1 m-85 -123.45 119.87 31.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.979 ' HB3' HG22 ' A' ' 53' ' ' THR . 3.9 m-20 -77.6 110.12 12.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -71.77 -27.01 62.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -68.07 -31.9 71.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.979 HG22 ' HB3' ' A' ' 50' ' ' ASP . 8.1 t -111.82 -3.08 15.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.414 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 53.48 17.93 6.78 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.453 1.095 . . . . 0.0 110.964 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.604 ' H ' HG23 ' A' ' 53' ' ' THR . 0.3 OUTLIER -117.82 146.42 38.86 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.46 0.741 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.583 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 18.3 Cg_endo -75.01 137.43 21.69 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.498 1.788 . . . . 0.0 110.964 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.864 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -52.86 -58.09 8.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 143.06 -17.27 2.34 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.512 1.132 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.987 ' CE2' HG21 ' A' ' 48' ' ' VAL . 29.4 p90 -125.75 156.51 39.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.76 . . . . 0.0 110.947 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.481 ' HA3' ' CB ' ' A' ' 47' ' ' LEU . . . -165.3 -169.5 29.01 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.498 1.124 . . . . 0.0 111.041 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.553 ' CE2' ' HG ' ' A' ' 101' ' ' LEU . 33.9 m-85 -132.44 137.44 47.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.76 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.591 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 34.1 t -113.69 124.95 53.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 108.281 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -99.13 123.43 43.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.258 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.664 ' CE1' HG22 ' A' ' 69' ' ' THR . 2.0 m-85 -92.61 -167.53 1.77 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.995 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.485 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . 0.3 OUTLIER -113.1 -13.66 13.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 110.33 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -141.12 132.92 27.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -57.38 -38.35 74.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.86 -38.16 89.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.664 HG22 ' CE1' ' A' ' 64' ' ' TYR . 64.1 m -66.74 -41.28 88.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.375 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.424 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . . . -66.49 -39.19 88.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.527 ' C ' HD12 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -69.34 -48.55 61.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.601 1.188 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.418 ' N ' ' HG ' ' A' ' 71' ' ' LEU . 7.5 t -59.95 -38.06 81.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.74 ' HA ' HG11 ' A' ' 39' ' ' VAL . . . -66.39 -38.23 87.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.622 ' HG2' HG12 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -62.6 -46.58 87.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.995 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -77.44 -25.99 51.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -74.98 -35.22 62.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.564 HD11 HG21 ' A' ' 39' ' ' VAL . 1.5 mt -103.17 -91.2 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 74' ' ' MET . 2.5 t30 36.01 87.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 79.95 37.56 21.95 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.22 120.91 28.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.72 137.84 58.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.906 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 58.0 t80 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 111.032 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 1.066 HD11 HD21 ' A' ' 32' ' ' LEU . 2.2 mm? -100.44 96.26 7.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -71.9 103.08 3.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.317 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.622 HG12 ' HG2' ' A' ' 74' ' ' MET . 21.9 t -106.61 122.9 61.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 91' ' ' ASN . 0.0 OUTLIER -139.61 138.66 36.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.457 HD22 ' HB3' ' A' ' 93' ' ' ALA . 1.7 t30 -38.93 120.19 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.464 ' CB ' ' HB3' ' A' ' 17' ' ' SER . . . -59.63 -22.72 62.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.457 ' HB3' HD22 ' A' ' 91' ' ' ASN . . . -91.47 37.87 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.414 ' HB2' ' ND2' ' A' ' 97' ' ' ASN . 0.4 OUTLIER -86.58 153.78 21.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.97 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -63.92 -36.65 84.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.306 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -81.2 -33.63 32.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.108 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.468 ' O ' HD12 ' A' ' 101' ' ' LEU . 63.9 m-20 -72.16 -19.69 61.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.29 -46.04 85.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.352 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.3 -36.93 81.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.521 ' OE2' ' CE1' ' A' ' 19' ' ' PHE . 16.3 tt0 -71.53 -42.04 68.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.268 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.553 ' HG ' ' CE2' ' A' ' 61' ' ' PHE . 0.6 OUTLIER -62.69 -32.79 73.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.56 -29.38 10.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.0 m -85.49 -38.03 19.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.992 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.602 HD13 ' CG1' ' A' ' 48' ' ' VAL . 2.3 tp . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . 1.007 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 13.3 m . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.544 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -67.23 -19.81 65.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.454 ' NH2' ' O ' ' A' ' 64' ' ' TYR . 17.4 mtp180 -109.75 -159.11 0.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.503 ' O ' ' CB ' ' A' ' 92' ' ' ALA . 3.5 m 60.54 124.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 110.044 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.448 HG12 ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -123.66 125.33 71.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 109.301 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.562 ' CE2' ' HG3' ' A' ' 100' ' ' GLU . 2.0 t80 -77.6 129.23 35.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.813 HG12 HD11 ' A' ' 23' ' ' ILE . 2.6 t -123.75 132.97 70.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -142.39 -173.72 14.47 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.526 1.141 . . . . 0.0 110.967 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.435 ' ND2' ' O ' ' A' ' 86' ' ' ALA . 6.0 t30 61.24 24.92 14.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 0.773 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.813 HD11 HG12 ' A' ' 20' ' ' VAL . 2.4 mt -96.94 114.73 65.1 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 178.86 6.69 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.476 1.777 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -73.9 -5.87 43.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -86.02 -9.73 56.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.336 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.513 ' HB3' HG22 ' A' ' 23' ' ' ILE . . . -118.43 99.11 6.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . 1.027 ' O ' HD22 ' A' ' 32' ' ' LEU . 14.7 p -90.95 174.05 7.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.45 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.774 ' OE2' HD21 ' A' ' 47' ' ' LEU . 7.1 mt-10 -58.04 -30.55 66.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.334 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -61.44 -33.35 73.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -89.56 -44.79 9.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.027 HD22 ' O ' ' A' ' 28' ' ' THR . 0.2 OUTLIER -57.63 -49.35 76.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.471 ' HD2' ' CG2' ' A' ' 42' ' ' VAL . 13.3 tttp -61.92 -37.41 84.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.89 -39.58 90.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.664 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 8.5 mt -67.61 -47.55 79.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.526 ' HB3' HG11 ' A' ' 42' ' ' VAL . 3.3 m-85 -68.51 -27.78 66.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.978 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.547 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 52.0 m -62.92 -33.05 74.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.993 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -63.93 -15.85 60.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 0.0 110.273 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.956 HG11 ' CA ' ' A' ' 73' ' ' ALA . 46.7 t -105.34 7.94 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.547 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 127.96 173.2 13.4 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.451 1.094 . . . . 0.0 110.966 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 120.6 6.15 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.519 1.799 . . . . 0.0 111.037 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.625 HG12 ' CE1' ' A' ' 64' ' ' TYR . 2.5 m -85.48 122.49 38.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.566 HG23 ' HB2' ' A' ' 65' ' ' GLN . 2.0 t -56.16 -55.94 15.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.87 153.49 16.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.026 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.571 ' CE2' ' HB2' ' A' ' 62' ' ' CYS . 0.5 OUTLIER -136.29 117.9 14.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 111.015 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.845 ' C ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -121.25 130.56 53.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.323 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.845 HD13 ' C ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -115.77 167.69 10.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.257 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.076 HG21 ' CE2' ' A' ' 59' ' ' TYR . 2.9 m -86.28 121.56 37.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.546 ' HE1' HD23 ' A' ' 47' ' ' LEU . 2.8 m-85 -123.0 120.25 32.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 111.002 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 54' ' ' GLY . 5.3 m-20 -73.65 107.37 5.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -73.48 -25.94 60.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.77 -31.69 71.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.513 ' CG2' ' HB2' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -111.47 -8.82 14.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.405 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 63.13 17.86 59.58 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.528 1.143 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.513 ' HB2' ' CG2' ' A' ' 53' ' ' THR . 0.7 OUTLIER -118.18 146.24 38.88 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.558 0.799 . . . . 0.0 109.283 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . 18.3 Cg_endo -75.03 137.57 21.83 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.783 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.922 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -52.94 -58.74 5.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 141.03 -17.06 2.76 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.12 . . . . 0.0 111.032 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 1.076 ' CE2' HG21 ' A' ' 48' ' ' VAL . 37.0 p90 -125.86 157.06 38.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 0.753 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -161.56 -174.15 31.08 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.515 1.134 . . . . 0.0 111.037 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.574 ' CE2' ' HG ' ' A' ' 101' ' ' LEU . 87.2 m-85 -131.78 138.08 48.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 0.76 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.571 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 24.2 t -112.44 123.88 51.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 108.277 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -99.8 123.26 43.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.625 ' CE1' HG12 ' A' ' 42' ' ' VAL . 18.8 m-85 -101.38 -173.7 2.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.566 ' HB2' HG23 ' A' ' 43' ' ' VAL . 3.2 tp60 -110.7 -29.82 7.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -115.35 131.42 56.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -60.06 -39.95 87.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.332 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.14 -37.54 87.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 39' ' ' VAL . 72.6 m -65.75 -44.95 84.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.427 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.408 ' HB2' ' HB2' ' A' ' 64' ' ' TYR . . . -67.79 -39.4 84.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.48 HD23 ' CE ' ' A' ' 74' ' ' MET . 5.5 mt -67.8 -40.58 83.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.7 t -63.69 -38.63 91.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.956 ' CA ' HG11 ' A' ' 39' ' ' VAL . . . -66.87 -38.16 85.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.614 ' HG2' HG12 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -64.48 -46.08 84.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 110.978 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.41 -26.16 51.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.459 ' C ' HD12 ' A' ' 77' ' ' LEU . 4.0 m-20 -75.8 -36.56 59.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.562 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.4 OUTLIER -101.06 -91.06 0.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 74' ' ' MET . 2.6 t30 37.85 89.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.347 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 69.43 37.15 78.86 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.403 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -81.98 121.09 26.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 0.743 . . . . 0.0 110.269 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.4 137.48 56.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.268 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.664 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 38.1 t80 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.435 ' O ' ' ND2' ' A' ' 22' ' ' ASN . . . . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.79 HD13 HG12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -95.33 92.65 6.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.29 120.09 10.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.614 HG12 ' HG2' ' A' ' 74' ' ' MET . 24.9 t -125.66 126.08 69.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.541 ' OD2' ' ND2' ' A' ' 97' ' ' ASN . 0.0 OUTLIER -139.24 154.93 48.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.452 ' N ' ' SD ' ' A' ' 74' ' ' MET . 0.5 OUTLIER -60.33 133.78 56.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -68.0 -14.44 62.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 1.007 ' HB2' ' O ' ' A' ' 14' ' ' SER . . . -87.49 13.5 9.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.1 m -79.02 139.32 38.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.011 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -59.97 -36.66 77.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.335 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.697 ' HG3' HD21 ' A' ' 97' ' ' ASN . 3.5 pttt -74.73 -33.91 62.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.697 HD21 ' HG3' ' A' ' 96' ' ' LYS . 1.1 m-80 -72.55 -19.16 61.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.05 -29.72 71.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.355 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -67.23 -43.77 81.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.531 1.145 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.562 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 11.0 mm-40 -71.82 -42.99 66.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.357 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.624 HD12 ' O ' ' A' ' 97' ' ' ASN . 0.4 OUTLIER -62.1 -32.83 73.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.67 -31.65 7.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.1 t -85.84 -34.71 20.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.028 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.969 HD21 HG13 ' A' ' 48' ' ' VAL . 2.1 mm? . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 74.3 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.586 ' N ' HD22 ' A' ' 15' ' ' LEU . 1.6 mm? -69.41 -14.56 62.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -107.36 69.03 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.297 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.445 ' HB3' ' CB ' ' A' ' 92' ' ' ALA . 10.4 m -177.23 134.53 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.004 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -123.17 125.41 71.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.707 ' CD1' ' CZ ' ' A' ' 61' ' ' PHE . 14.5 t80 -80.12 129.12 34.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.972 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.931 HG13 HD11 ' A' ' 23' ' ' ILE . 0.3 OUTLIER -116.09 132.97 64.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.5 ' O ' ' CB ' ' A' ' 22' ' ' ASN . . . -156.77 160.02 30.0 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 21' ' ' GLY . 26.3 t30 81.51 36.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 0.748 . . . . 0.0 109.328 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.94 HG23 ' CD2' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -113.05 146.01 34.28 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.836 ' HD2' HG22 ' A' ' 23' ' ' ILE . 18.5 Cg_endo -75.0 -162.49 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.781 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -98.6 -24.9 14.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 111.007 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.31 -9.31 46.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.552 ' HB1' HD11 ' A' ' 32' ' ' LEU . . . -107.79 96.93 6.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.54 ' O ' HD13 ' A' ' 32' ' ' LEU . 4.6 p -89.91 174.36 7.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.401 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.407 ' OE1' ' O ' ' A' ' 45' ' ' PHE . 8.4 mt-10 -57.7 -30.75 65.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.04 -33.18 75.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.34 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -87.14 -45.14 10.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.826 ' HA ' HD12 ' A' ' 35' ' ' ILE . 11.0 mp -59.09 -49.08 79.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.882 ' HG3' HG11 ' A' ' 42' ' ' VAL . 1.9 tttt -58.0 -37.5 74.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.83 -36.79 80.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.927 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 9.6 mt -68.26 -47.89 76.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.449 ' CE2' ' HB3' ' A' ' 62' ' ' CYS . 3.9 m-85 -68.83 -33.08 73.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.537 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 69.0 m -64.8 -32.88 74.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 110.018 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.441 ' HG2' HG23 ' A' ' 39' ' ' VAL . 2.0 pt-20 -64.46 -13.2 50.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.948 HG11 ' HA ' ' A' ' 73' ' ' ALA . 7.8 t -104.98 7.12 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.537 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 141.77 -177.31 21.4 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.493 1.121 . . . . 0.0 111.059 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 116.31 4.55 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.529 1.805 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.882 HG11 ' HG3' ' A' ' 33' ' ' LYS . 3.3 t -85.94 122.34 38.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.466 ' CG2' ' HB2' ' A' ' 65' ' ' GLN . 16.6 t -77.68 -74.78 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.24 164.84 21.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 110.006 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.584 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.5 OUTLIER -165.36 113.83 1.01 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.992 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.491 ' C ' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -132.92 135.5 45.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.567 ' CD2' ' CE1' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -112.15 171.16 7.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.852 HG12 HD13 ' A' ' 104' ' ' LEU . 3.5 m -86.43 129.48 38.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.513 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 1.3 m-85 -129.6 119.72 24.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 54' ' ' GLY . 1.7 m-20 -71.04 108.44 4.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.418 ' HB3' ' NH1' ' A' ' 51' ' ' ARG . 14.5 mtp-105 -73.72 -30.5 62.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -71.45 -32.42 68.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.5 m -105.79 -4.28 21.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 110.43 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 54.22 17.45 7.91 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 3.9 mmtt -117.78 145.42 36.51 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.521 0.777 . . . . 0.0 109.263 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . 18.2 Cg_endo -74.98 137.74 22.17 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.446 1.761 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.845 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -53.73 -57.22 11.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.557 1.16 . . . . 0.0 109.273 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 138.49 -19.45 3.19 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.535 1.147 . . . . 0.0 111.022 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.776 ' O ' HG22 ' A' ' 48' ' ' VAL . 1.9 p90 -123.04 159.22 28.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.769 . . . . 0.0 110.947 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.464 ' CA ' ' HA ' ' A' ' 47' ' ' LEU . . . -158.83 -171.61 24.87 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.707 ' CZ ' ' CD1' ' A' ' 19' ' ' PHE . 84.0 m-85 -132.2 141.92 49.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 0.795 . . . . 0.0 111.014 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.584 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 36.5 t -124.35 121.33 34.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 108.28 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.427 ' HA ' ' HA ' ' A' ' 17' ' ' SER . 4.7 tt0 -100.2 123.32 44.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.466 ' CD2' ' HA ' ' A' ' 70' ' ' ALA . 18.4 m-85 -93.4 -170.41 2.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.466 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . 4.4 tt0 -113.2 -15.51 12.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.96 131.61 47.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.638 ' OE1' HD12 ' A' ' 71' ' ' LEU . 2.2 tm0? -62.32 -44.78 95.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.322 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -59.68 -37.52 79.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.5 m -67.19 -41.21 86.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.411 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.466 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . . . -67.76 -39.79 84.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.638 HD12 ' OE1' ' A' ' 67' ' ' GLN . 6.5 mt -69.2 -44.29 72.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.419 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 8.7 t -63.05 -37.68 88.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.013 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.948 ' HA ' HG11 ' A' ' 39' ' ' VAL . . . -66.89 -37.87 85.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.239 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.694 ' HG2' HG12 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -63.23 -47.29 83.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -78.19 -26.26 47.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.419 ' CB ' ' O ' ' A' ' 72' ' ' SER . 5.2 m120 -76.94 -32.15 57.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.6 HD12 ' O ' ' A' ' 73' ' ' ALA . 1.9 mt -105.02 -90.82 0.4 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 74' ' ' MET . 2.1 t-20 37.06 88.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 75.76 38.81 35.73 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.524 1.14 . . . . 0.0 110.949 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.95 120.66 25.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -61.04 135.1 57.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.323 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.927 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 34.6 t80 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 111.037 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.94 ' CD2' HG23 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -91.69 91.01 7.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.436 ' CB ' ' O ' ' A' ' 21' ' ' GLY . 2.0 ttt180 -62.46 100.7 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 87' ' ' LEU . 24.2 t -106.48 122.85 60.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 91' ' ' ASN . 0.0 OUTLIER -140.04 139.23 35.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.525 HD22 ' HB3' ' A' ' 93' ' ' ALA . 1.9 t30 -39.06 130.17 1.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.445 ' CB ' ' HB3' ' A' ' 17' ' ' SER . . . -66.45 -21.68 66.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.525 ' HB3' HD22 ' A' ' 91' ' ' ASN . . . -89.35 41.3 1.03 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.24 150.44 20.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.978 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -36.55 84.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -81.22 -33.63 32.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.28 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.682 ' O ' HD12 ' A' ' 101' ' ' LEU . 2.7 m120 -72.19 -21.83 61.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.28 -35.68 81.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -66.57 -39.52 88.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.506 ' HG2' ' CZ ' ' A' ' 59' ' ' TYR . 0.4 OUTLIER -71.64 -43.74 65.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.284 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.682 HD12 ' O ' ' A' ' 97' ' ' ASN . 0.4 OUTLIER -62.67 -32.87 74.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.4 tptm -56.19 -30.1 61.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.1 m -85.74 -34.14 21.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 110.007 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.852 HD13 HG12 ' A' ' 48' ' ' VAL . 6.2 tp . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.58 ' CB ' ' HB2' ' A' ' 93' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.42 -16.74 63.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.113 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.596 ' O ' ' HB1' ' A' ' 70' ' ' ALA . 11.5 mtm-85 -95.96 -65.14 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.262 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.695 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 3.0 p -39.2 116.88 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.023 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.541 HG12 ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -111.98 125.05 69.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 109.349 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.404 ' CE1' ' OE1' ' A' ' 100' ' ' GLU . 10.7 t80 -79.36 129.93 34.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.97 HG12 HD11 ' A' ' 23' ' ' ILE . 12.4 t -117.89 132.96 66.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -135.57 -175.67 13.96 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 65.0 t30 60.58 26.71 16.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 109.269 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.998 HD13 HD21 ' A' ' 32' ' ' LEU . 2.0 mt -98.82 118.15 63.37 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 179.65 5.87 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.479 1.779 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -74.53 -11.19 60.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -83.62 -9.7 58.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.33 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.711 ' HB3' HG22 ' A' ' 23' ' ' ILE . . . -110.79 96.06 5.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.1 p -90.13 173.94 7.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.402 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.814 ' CG ' HD11 ' A' ' 47' ' ' LEU . 4.6 mt-10 -57.7 -30.49 65.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 110.317 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -63.1 -32.96 74.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -87.61 -46.19 9.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.998 HD21 HD13 ' A' ' 23' ' ' ILE . 10.0 mp -58.29 -49.72 76.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.84 ' HG3' HG11 ' A' ' 42' ' ' VAL . 4.3 ttmt -58.18 -37.45 74.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.26 -35.63 78.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.919 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 11.1 mt -67.86 -48.67 74.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.671 ' CE2' HG21 ' A' ' 20' ' ' VAL . 0.8 OUTLIER -69.75 -29.74 67.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.993 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.434 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 97.5 p -63.16 -33.03 74.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.963 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.42 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 12.9 tt0 -64.45 -12.38 42.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.941 HG11 ' HA ' ' A' ' 73' ' ' ALA . 2.5 t -103.78 7.43 9.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.434 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 132.11 -171.41 21.43 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 113.46 3.8 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.467 1.772 . . . . 0.0 110.989 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.84 HG11 ' HG3' ' A' ' 33' ' ' LYS . 4.5 p -85.87 122.14 38.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.456 ' CG2' ' C ' ' A' ' 64' ' ' TYR . 84.4 t -65.52 -70.54 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 t -151.83 160.85 43.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.005 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.591 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.7 OUTLIER -142.91 115.98 8.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.701 ' C ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -117.1 134.36 54.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.292 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.814 HD11 ' CG ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -123.17 168.63 12.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.018 HG12 HD13 ' A' ' 104' ' ' LEU . 4.0 m -86.12 121.4 37.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.632 ' CE1' HD23 ' A' ' 47' ' ' LEU . 1.3 m-85 -125.07 119.18 27.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.97 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 54' ' ' GLY . 0.2 OUTLIER -72.16 108.99 5.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.5 mtt85 -73.02 -29.98 63.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.265 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.95 -32.0 68.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.28 -3.27 19.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.384 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 50.96 19.46 3.57 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.456 1.098 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 0.2 OUTLIER -118.01 144.97 35.75 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.509 0.77 . . . . 0.0 109.321 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.555 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 18.3 Cg_endo -74.97 137.6 22.01 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.477 1.778 . . . . 0.0 111.011 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.879 ' HB2' HG23 ' A' ' 48' ' ' VAL . 3.9 mmtt -56.97 -58.27 8.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 137.17 -15.64 3.7 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.536 1.147 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.998 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 52.6 p90 -125.85 158.02 36.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 0.749 . . . . 0.0 111.02 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.408 ' HA3' ' HA ' ' A' ' 47' ' ' LEU . . . -169.12 -170.73 34.07 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.133 . . . . 0.0 110.994 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.572 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 55.2 m-85 -131.96 137.26 47.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 0.781 . . . . 0.0 110.925 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.591 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 7.9 t -113.51 122.34 46.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 108.297 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -99.24 127.85 45.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 110.283 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.459 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 7.3 m-85 -97.36 -169.68 1.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 110.979 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.446 ' N ' HG23 ' A' ' 43' ' ' VAL . 9.1 tt0 -105.88 -20.03 13.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -135.83 132.68 36.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -57.2 -37.5 72.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.311 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -38.12 89.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.1 m -68.05 -41.79 81.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.411 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.596 ' HB1' ' O ' ' A' ' 16' ' ' ARG . . . -68.06 -39.43 82.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 mt -69.25 -43.59 73.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.143 . . . . 0.0 109.317 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.9 m -63.13 -38.39 90.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.043 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.941 ' HA ' HG11 ' A' ' 39' ' ' VAL . . . -66.66 -38.14 86.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.712 ' HG2' HG12 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -62.98 -47.1 84.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 111.018 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 45.0 ttt-85 -77.72 -25.38 49.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -76.83 -32.92 57.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.332 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.687 HD11 HG21 ' A' ' 39' ' ' VAL . 6.8 mp -106.41 -92.54 0.39 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.525 ' CB ' ' O ' ' A' ' 74' ' ' MET . 2.4 t30 37.35 86.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.82 35.73 24.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.442 1.089 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.595 HH21 HG23 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -87.4 121.09 29.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 0.79 . . . . 0.0 110.316 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.24 140.7 55.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.919 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 40.1 t80 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 111.023 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.804 HD23 ' CG1' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -92.09 91.67 7.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.13 98.95 0.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.338 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.712 HG12 ' HG2' ' A' ' 74' ' ' MET . 46.0 t -106.87 120.89 58.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.45 ' N ' ' OD1' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -141.8 154.17 45.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.439 HD22 ' HB3' ' A' ' 93' ' ' ALA . 0.8 OUTLIER -45.91 117.77 1.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.695 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -62.66 -13.49 32.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.58 ' HB2' ' CB ' ' A' ' 14' ' ' SER . . . -98.91 36.44 1.69 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.68 154.97 28.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.975 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -67.94 -36.62 80.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -77.45 -33.74 54.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.784 ' OD1' HD12 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -69.74 -16.33 63.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -30.37 68.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 109.31 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.69 -39.46 73.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.404 ' OE1' ' CE1' ' A' ' 19' ' ' PHE . 7.1 mt-10 -72.34 -44.09 63.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.784 HD12 ' OD1' ' A' ' 97' ' ' ASN . 3.2 mt -61.24 -37.98 84.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -44.84 -30.99 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.83 -36.47 20.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.953 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 1.018 HD13 HG12 ' A' ' 48' ' ' VAL . 2.4 tp . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.47 ' HB3' ' CG ' ' A' ' 67' ' ' GLN . 0.2 OUTLIER -69.34 -15.99 63.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.544 ' O ' ' HB1' ' A' ' 70' ' ' ALA . 30.0 mtp180 -100.86 -66.1 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.525 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 19.5 m -36.56 114.67 0.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.981 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.434 ' HB ' ' CG1' ' A' ' 89' ' ' VAL . 0.0 OUTLIER -111.04 124.96 68.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.482 ' CE1' ' HB2' ' A' ' 59' ' ' TYR . 26.5 t80 -75.9 129.07 36.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 111.029 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.756 HG12 HD11 ' A' ' 23' ' ' ILE . 2.2 t -113.57 133.26 60.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -137.73 -176.08 14.25 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.55 1.156 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 31.1 t30 63.02 21.74 13.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 0.0 109.271 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.756 HD11 HG12 ' A' ' 20' ' ' VAL . 3.3 mt -95.48 114.43 63.88 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 109.343 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 175.55 11.08 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.492 1.785 . . . . 0.0 110.95 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -72.48 -3.1 22.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.961 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -91.54 -9.71 43.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.454 ' HB1' HD11 ' A' ' 32' ' ' LEU . . . -119.13 100.25 7.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.974 ' O ' HD22 ' A' ' 32' ' ' LEU . 10.4 p -90.53 174.28 7.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.167 . . . . 0.0 110.411 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.724 ' HG3' HD11 ' A' ' 47' ' ' LEU . 2.9 mt-10 -57.97 -29.93 65.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -60.5 -33.64 72.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -90.25 -45.15 9.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.974 HD22 ' O ' ' A' ' 28' ' ' THR . 0.2 OUTLIER -56.98 -48.86 77.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.866 ' HG3' HG11 ' A' ' 42' ' ' VAL . 3.1 ttpm? -61.29 -37.83 84.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -64.99 -39.98 94.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.929 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 6.6 mt -68.16 -46.34 81.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.594 ' CE1' HD13 ' A' ' 77' ' ' LEU . 3.6 m-85 -67.4 -29.25 68.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.568 ' HA ' HG23 ' A' ' 42' ' ' VAL . 52.8 p -63.24 -38.15 90.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.027 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -64.75 -12.31 45.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.917 HG11 ' HA ' ' A' ' 73' ' ' ALA . 2.0 t -103.77 7.52 9.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.454 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 136.58 -177.78 19.38 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 122.9 7.52 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.792 . . . . 0.0 110.999 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.866 HG11 ' HG3' ' A' ' 33' ' ' LYS . 50.0 t -89.53 122.44 40.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.7 HG11 ' OE2' ' A' ' 63' ' ' GLU . 3.1 t -80.04 -68.71 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.437 1.086 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.418 ' N ' HG12 ' A' ' 43' ' ' VAL . 0.1 OUTLIER -135.42 169.81 16.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.972 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.589 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.6 OUTLIER -171.07 113.63 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.9 mmt85 -130.84 134.0 46.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 110.256 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.724 HD11 ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -110.61 167.34 10.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.038 HG12 HD13 ' A' ' 104' ' ' LEU . 3.7 m -86.48 121.41 37.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.57 ' HE2' HD13 ' A' ' 47' ' ' LEU . 1.2 m-85 -123.45 119.12 29.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 111.049 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 54' ' ' GLY . 73.8 m-20 -70.88 108.65 4.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 -73.22 -29.85 63.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.286 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -70.92 -32.18 69.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.36 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.467 HG22 ' CD ' ' A' ' 55' ' ' LYS . 5.3 m -106.76 -4.51 19.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.413 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 54.53 17.07 7.89 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.467 ' CD ' HG22 ' A' ' 53' ' ' THR . 4.3 mttp -118.0 145.44 36.82 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.531 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . 18.4 Cg_endo -75.02 137.73 22.05 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.466 1.772 . . . . 0.0 111.03 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.861 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -54.29 -57.65 10.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 139.17 -16.82 3.19 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.473 1.108 . . . . 0.0 111.044 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.949 ' CE2' HG21 ' A' ' 48' ' ' VAL . 40.8 p90 -125.54 156.95 38.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.567 0.804 . . . . 0.0 110.98 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -158.02 -171.08 23.5 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.451 1.095 . . . . 0.0 111.03 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.577 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 96.5 m-85 -132.48 137.91 47.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 0.0 111.014 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.589 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 38.7 t -118.77 120.51 37.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 108.308 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.7 ' OE2' HG11 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -100.29 123.36 44.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.767 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 32.1 m-85 -98.33 -170.53 1.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 111.03 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.411 ' CG ' ' N ' ' A' ' 66' ' ' ASP . 9.9 pt20 -100.54 -43.18 6.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.411 ' N ' ' CG ' ' A' ' 65' ' ' GLN . 0.2 OUTLIER -101.82 140.1 36.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.47 ' CG ' ' HB3' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -64.86 -48.15 75.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -60.92 -37.17 81.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 87.4 m -66.64 -42.35 86.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.434 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.767 ' HB2' ' HB2' ' A' ' 64' ' ' TYR . . . -68.14 -39.7 82.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.603 HD23 ' CE ' ' A' ' 74' ' ' MET . 0.3 OUTLIER -69.61 -40.95 76.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.429 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 24.0 p -67.77 -37.94 82.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.994 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.923 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -66.72 -37.34 84.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.603 ' CE ' HD23 ' A' ' 71' ' ' LEU . 0.3 OUTLIER -66.36 -46.79 75.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.442 ' N ' ' HG2' ' A' ' 74' ' ' MET . 0.0 OUTLIER -76.75 -27.02 55.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.3 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.429 ' CB ' ' O ' ' A' ' 72' ' ' SER . 6.3 m120 -77.34 -35.75 54.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.923 HD12 ' O ' ' A' ' 73' ' ' ALA . 1.2 mt -86.19 -40.82 15.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.57 1.169 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 78' ' ' ASN . 1.3 t30 -53.97 90.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . 115.25 23.06 4.64 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.469 1.105 . . . . 0.0 110.996 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -106.12 120.46 41.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 0.796 . . . . 0.0 110.283 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -71.05 138.61 49.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.929 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 39.8 t80 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.41 ' O ' ' O ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -109.04 99.27 8.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.334 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 20.5 mtp180 -88.61 122.78 32.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.558 HG21 ' HB2' ' A' ' 77' ' ' LEU . 6.5 t -125.63 127.91 71.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -139.04 146.6 41.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.726 HD22 ' HB3' ' A' ' 93' ' ' ALA . 1.4 t30 -42.0 128.83 3.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -70.06 -8.12 46.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.726 ' HB3' HD22 ' A' ' 91' ' ' ASN . . . -92.31 26.97 2.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.422 ' HB2' ' ND2' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -79.87 152.02 29.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.025 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.436 ' CA ' ' OE1' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -59.98 -36.66 77.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.351 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.25 -33.48 32.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.838 ' O ' HD12 ' A' ' 101' ' ' LEU . 78.8 m-20 -72.0 -19.79 61.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.74 -46.18 72.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -62.0 -35.74 79.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.547 ' HG2' ' CE2' ' A' ' 59' ' ' TYR . 1.2 tp10 -71.56 -42.65 67.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.838 HD12 ' O ' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -62.8 -32.95 74.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.3 mttp -51.74 -29.05 17.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.5 t -85.58 -38.15 18.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.979 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 1.038 HD13 HG12 ' A' ' 48' ' ' VAL . 2.8 tp . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.508 ' HB3' ' HB2' ' A' ' 93' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.734 HD13 ' NE2' ' A' ' 67' ' ' GLN . 2.2 mt -70.21 -13.1 62.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.0 mtm-85 -105.11 49.33 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.254 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.577 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 12.2 p -168.4 120.57 0.82 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.985 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.545 HG12 ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -116.14 125.8 73.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.557 ' CZ ' ' OE1' ' A' ' 100' ' ' GLU . 30.7 t80 -79.19 129.13 34.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.807 HG12 HD11 ' A' ' 23' ' ' ILE . 2.1 t -116.45 133.0 64.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -146.16 -174.83 18.67 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 59.84 29.42 18.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 0.748 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.807 HD11 HG12 ' A' ' 20' ' ' VAL . 1.6 mt -101.52 141.4 22.52 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.631 ' HD2' HG22 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.01 -162.56 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.495 1.787 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -93.92 -32.44 13.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 111.033 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.32 -9.59 48.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.272 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.683 ' HB3' HG22 ' A' ' 23' ' ' ILE . . . -100.8 91.71 4.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.4 p -90.11 174.15 7.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.364 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.46 ' HG3' ' CD2' ' A' ' 47' ' ' LEU . 20.5 mt-10 -57.84 -31.07 66.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.281 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.45 -33.63 75.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -83.87 -44.68 14.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.934 ' HA ' HD12 ' A' ' 35' ' ' ILE . 17.6 mt -58.25 -49.04 78.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.848 ' HG3' HG11 ' A' ' 42' ' ' VAL . 9.4 tttt -58.05 -37.95 75.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.89 -35.8 80.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.934 HD12 ' HA ' ' A' ' 32' ' ' LEU . 9.8 mt -68.12 -48.38 74.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.424 ' HD1' ' HH ' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -69.21 -29.5 67.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 111.036 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.45 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 76.9 p -63.0 -37.14 85.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.995 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.405 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 13.1 tp10 -71.09 -12.65 61.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.726 HG11 ' HA ' ' A' ' 73' ' ' ALA . 2.1 t -104.43 7.11 10.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.45 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 135.0 -177.32 19.41 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.491 1.12 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.437 ' HD2' HG21 ' A' ' 69' ' ' THR . 18.3 Cg_endo -75.0 122.89 7.49 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.446 1.761 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.848 HG11 ' HG3' ' A' ' 33' ' ' LYS . 12.9 p -101.21 122.52 53.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.484 ' CG2' ' HB2' ' A' ' 65' ' ' GLN . 46.5 t -67.86 -72.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.99 164.19 30.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.984 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.591 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.6 OUTLIER -151.55 114.28 4.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 111.022 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -124.66 133.19 53.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.823 HD11 ' CE2' ' A' ' 49' ' ' TYR . 4.4 pp -120.27 177.74 4.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.985 HG21 ' CE2' ' A' ' 59' ' ' TYR . 2.7 m -86.41 121.62 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.823 ' CE2' HD11 ' A' ' 47' ' ' LEU . 1.2 m-85 -123.28 119.76 31.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 54' ' ' GLY . 1.9 m-20 -74.1 109.24 7.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.4 mtt85 -72.46 -29.14 63.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -70.51 -32.14 69.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.345 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.2 m -107.54 -4.54 18.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.419 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 54.33 16.92 7.27 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.514 1.133 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 11.7 mmtt -118.12 146.22 38.75 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.749 . . . . 0.0 109.361 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.576 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 18.3 Cg_endo -75.0 137.39 21.66 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.473 1.775 . . . . 0.0 110.94 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.824 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -52.54 -58.16 7.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 141.81 -17.65 2.59 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.546 1.154 . . . . 0.0 111.038 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.985 ' CE2' HG21 ' A' ' 48' ' ' VAL . 33.4 p90 -125.68 156.68 38.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 0.736 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.482 ' HA3' ' CB ' ' A' ' 47' ' ' LEU . . . -165.94 -170.28 30.66 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.512 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 81.2 m-85 -132.37 138.24 47.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 0.755 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.591 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 13.0 t -116.15 122.6 45.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 108.337 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.426 ' OE2' HG11 ' A' ' 43' ' ' VAL . 3.4 tm-20 -99.47 126.11 45.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.655 ' CE1' HG22 ' A' ' 69' ' ' THR . 3.3 m-85 -96.51 -172.54 2.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.484 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -112.81 -18.7 12.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.266 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.24 134.07 53.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.734 ' NE2' HD13 ' A' ' 15' ' ' LEU . 3.9 mt-30 -64.28 -37.52 87.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -68.95 -37.39 78.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.655 HG22 ' CE1' ' A' ' 64' ' ' TYR . 97.4 m -66.66 -40.52 88.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.421 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.72 -40.62 84.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.5 mt -69.97 -41.87 73.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.4 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 6.3 t -64.83 -38.02 89.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.975 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.726 ' HA ' HG11 ' A' ' 39' ' ' VAL . . . -66.49 -38.86 88.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.727 ' HG2' HG12 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -63.13 -47.28 83.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 111.001 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -77.8 -25.19 48.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.4 ' CB ' ' O ' ' A' ' 72' ' ' SER . 2.9 m120 -74.91 -35.64 62.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.695 HD11 HG21 ' A' ' 39' ' ' VAL . 1.4 mt -104.06 -91.86 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.529 ' CB ' ' O ' ' A' ' 74' ' ' MET . 1.4 t-20 35.8 86.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.35 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 83.21 34.74 19.87 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.54 120.63 27.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 110.332 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -58.53 143.1 47.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.643 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 4.5 t80 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.862 HD11 ' CD2' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -97.31 86.9 4.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.403 ' O ' ' HA ' ' A' ' 20' ' ' VAL . 7.3 ttt180 -70.45 97.42 1.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.727 HG12 ' HG2' ' A' ' 74' ' ' MET . 42.5 t -105.05 122.5 58.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.442 ' N ' ' OD1' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -140.17 137.28 34.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.714 HD22 ' HB3' ' A' ' 93' ' ' ALA . 1.4 t30 -39.98 126.04 2.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -66.95 -10.42 49.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.714 ' HB3' HD22 ' A' ' 91' ' ' ASN . . . -91.62 25.28 2.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.87 149.59 30.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.995 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.1 -35.82 82.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.0 -33.89 33.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.772 ' O ' HD12 ' A' ' 101' ' ' LEU . 20.4 m-20 -72.33 -20.11 61.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 7.2 ttpt -64.34 -40.08 95.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.95 -35.5 80.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.261 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.557 ' OE1' ' CZ ' ' A' ' 19' ' ' PHE . 3.5 mt-10 -71.69 -43.34 66.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.772 HD12 ' O ' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -63.25 -32.47 73.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.21 -28.34 40.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.0 m -85.4 -36.21 20.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.978 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.631 HD13 ' CG1' ' A' ' 48' ' ' VAL . 2.8 tp . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.2 mt -78.3 -10.89 59.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.502 ' O ' ' CB ' ' A' ' 17' ' ' SER . 5.9 ttm180 -98.39 79.47 2.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.323 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' A' ' 92' ' ' ALA . 1.6 m 159.76 124.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.022 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.637 HG12 ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -117.08 124.93 73.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.596 ' CD1' ' OD2' ' A' ' 90' ' ' ASP . 2.1 t80 -78.62 129.87 35.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.846 HG12 HD11 ' A' ' 23' ' ' ILE . 5.1 t -114.09 132.68 62.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -132.68 -177.25 14.81 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.464 1.102 . . . . 0.0 110.983 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 60.13 26.88 16.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 0.749 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 1.009 HD13 HD11 ' A' ' 32' ' ' LEU . 1.9 mt -99.09 114.39 65.48 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 178.5 7.17 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.541 1.811 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -73.41 -3.68 28.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.76 -9.86 42.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.618 ' HB3' HG22 ' A' ' 23' ' ' ILE . . . -114.97 96.39 5.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.9 p -90.57 174.43 7.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.417 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.797 ' HG3' HD11 ' A' ' 47' ' ' LEU . 47.8 mt-10 -57.85 -30.5 65.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -33.49 75.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 110.302 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -86.85 -45.71 10.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.319 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.009 HD11 HD13 ' A' ' 23' ' ' ILE . 19.2 mt -58.15 -49.36 77.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.86 -37.86 74.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.21 -37.37 87.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.953 HD12 ' HA ' ' A' ' 32' ' ' LEU . 7.2 mt -68.26 -47.69 76.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.303 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.516 ' CD1' ' OH ' ' A' ' 64' ' ' TYR . 0.3 OUTLIER -68.79 -28.21 66.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.153 . . . . 0.0 111.011 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.473 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 55.6 p -62.33 -36.12 81.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.985 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 9.3 tp10 -71.23 -13.12 61.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 110.304 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.742 HG11 ' HA ' ' A' ' 73' ' ' ALA . 1.5 t -105.0 7.32 10.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.473 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 133.83 -178.2 18.5 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.507 1.129 . . . . 0.0 110.961 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.42 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 18.3 Cg_endo -75.04 130.69 13.47 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.457 1.767 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.458 ' CG1' ' SG ' ' A' ' 62' ' ' CYS . 6.1 t -104.15 130.72 54.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.687 HG11 ' OE2' ' A' ' 63' ' ' GLU . 77.4 t -81.53 -75.99 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.453 ' N ' ' OE1' ' A' ' 63' ' ' GLU . 0.1 OUTLIER -132.62 168.94 17.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.986 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.595 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.7 OUTLIER -162.26 114.19 1.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.8 137.62 50.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.326 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.797 HD11 ' HG3' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -116.56 176.2 5.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.021 HG13 HD21 ' A' ' 104' ' ' LEU . 2.5 m -86.37 121.8 37.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.333 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 1.3 m-85 -123.84 120.02 31.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 54' ' ' GLY . 17.2 m-20 -74.14 109.4 7.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.7 mtp85 -72.7 -29.97 63.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.137 . . . . 0.0 110.361 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.86 -28.68 64.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.324 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.9 p -111.04 -3.17 15.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 110.392 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 51.57 18.82 4.06 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -117.99 145.88 37.81 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.513 0.773 . . . . 0.0 109.248 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . 18.3 Cg_endo -75.04 137.56 21.79 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.524 1.802 . . . . 0.0 111.035 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.861 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -54.41 -58.17 8.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 142.32 -24.43 2.36 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.868 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 52.7 p90 -120.47 156.89 30.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 0.747 . . . . 0.0 111.01 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.606 ' HA3' HD23 ' A' ' 47' ' ' LEU . . . -159.19 -169.54 22.65 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.521 1.138 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.576 ' CE2' ' HG ' ' A' ' 101' ' ' LEU . 76.0 m-85 -132.4 137.59 47.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 0.788 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.595 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 19.4 t -113.23 117.91 33.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.154 . . . . 0.0 108.259 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.687 ' OE2' HG11 ' A' ' 43' ' ' VAL . 0.2 OUTLIER -98.59 132.04 44.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.335 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.516 ' OH ' ' CD1' ' A' ' 36' ' ' PHE . 12.4 m-85 -107.14 -177.74 3.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 111.047 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.488 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -99.85 -12.95 19.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.338 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -135.83 130.58 34.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -60.53 -40.7 92.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.273 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.456 ' HA ' HD23 ' A' ' 71' ' ' LEU . 8.0 tt0 -59.83 -38.09 81.05 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.468 HG22 ' CE2' ' A' ' 64' ' ' TYR . 93.2 m -66.86 -43.45 83.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 110.427 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.78 -39.37 90.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.526 ' C ' HD12 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -68.22 -48.07 66.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.411 ' N ' ' HG ' ' A' ' 71' ' ' LEU . 3.8 t -59.68 -37.28 78.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.977 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.742 ' HA ' HG11 ' A' ' 39' ' ' VAL . . . -66.14 -38.35 87.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.637 ' HG3' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -62.85 -47.14 84.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 111.02 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 23.8 ttt-85 -77.66 -25.72 49.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -77.22 -31.76 55.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.598 HD11 HG21 ' A' ' 39' ' ' VAL . 2.7 mt -106.45 -92.19 0.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 74' ' ' MET . 1.6 t-20 37.72 83.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.18 38.52 12.88 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.474 1.109 . . . . 0.0 111.039 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.89 121.04 27.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 0.753 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.56 136.13 57.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 110.256 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.786 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 14.8 t80 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 110.985 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.712 ' O ' HG23 ' A' ' 89' ' ' VAL . 8.5 mt -93.79 93.59 8.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.96 101.46 0.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.572 1.17 . . . . 0.0 110.356 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 87' ' ' LEU . 4.4 t -106.31 126.13 61.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.596 ' OD2' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -138.4 155.38 48.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -63.81 128.91 37.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -61.23 -14.91 29.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -89.7 20.98 3.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.5 145.14 33.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.004 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 96' ' ' LYS . 10.2 pt-20 -59.85 -36.63 77.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.344 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.4 ' N ' ' HG3' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -79.64 -33.78 41.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.097 . . . . 0.0 109.28 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.672 ' O ' HD12 ' A' ' 101' ' ' LEU . 3.0 m120 -72.37 -19.45 61.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.254 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -63.72 -45.89 87.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -61.43 -37.01 81.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.431 ' OE1' ' CE1' ' A' ' 59' ' ' TYR . 11.6 mm-40 -71.72 -42.15 67.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.672 HD12 ' O ' ' A' ' 97' ' ' ASN . 0.4 OUTLIER -62.28 -32.83 73.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.35 -29.61 24.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.63 -29.63 23.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.017 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 1.021 HD21 HG13 ' A' ' 48' ' ' VAL . 3.9 mm? . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.46 ' CB ' ' CD ' ' A' ' 67' ' ' GLN . 0.4 OUTLIER -69.85 -14.47 62.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.481 ' O ' ' HB1' ' A' ' 70' ' ' ALA . 26.1 mtp180 -95.41 -67.25 0.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.606 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 60.8 m -37.0 118.54 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.056 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.492 HG12 ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -111.72 125.68 69.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.414 ' HB3' ' ND2' ' A' ' 97' ' ' ASN . 3.0 t80 -78.06 129.81 35.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.933 HG22 HD11 ' A' ' 23' ' ' ILE . 0.6 OUTLIER -116.2 133.41 62.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -157.86 176.33 34.95 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.547 1.155 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.44 ' O ' ' ND2' ' A' ' 22' ' ' ASN . 4.8 t30 72.82 22.67 3.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 0.776 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.961 HD13 HD21 ' A' ' 32' ' ' LEU . 2.0 mt -101.88 140.96 21.64 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.59 ' HD2' HG22 ' A' ' 23' ' ' ILE . 18.4 Cg_endo -74.98 -162.32 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.462 1.769 . . . . 0.0 111.018 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -96.01 -5.73 40.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.16 -9.63 44.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.892 ' HB3' HG22 ' A' ' 23' ' ' ILE . . . -110.3 96.1 6.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.507 ' O ' HD13 ' A' ' 32' ' ' LEU . 15.2 p -90.38 173.75 7.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 110.401 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.506 ' HG3' HD23 ' A' ' 47' ' ' LEU . 8.0 mt-10 -58.11 -31.3 67.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.133 . . . . 0.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.68 -33.86 74.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.276 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.451 ' HB3' ' CZ ' ' A' ' 82' ' ' PHE . 5.9 mt-30 -83.89 -44.79 13.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.977 ' HA ' HD12 ' A' ' 35' ' ' ILE . 5.8 mp -58.04 -49.15 77.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.962 ' HG3' HG21 ' A' ' 42' ' ' VAL . 1.6 ttpt -56.4 -38.27 71.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.94 -37.85 87.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.977 HD12 ' HA ' ' A' ' 32' ' ' LEU . 7.1 mt -68.02 -47.69 77.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -68.28 -27.88 66.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.536 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -61.76 -33.03 73.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.06 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -67.93 -12.16 60.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.925 HG11 ' HA ' ' A' ' 73' ' ' ALA . 37.1 t -103.82 -10.98 9.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.536 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 149.66 176.55 22.93 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.448 1.093 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 118.3 5.21 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.783 . . . . 0.0 110.948 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.962 HG21 ' HG3' ' A' ' 33' ' ' LYS . 33.5 m -85.67 122.35 38.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.612 HG23 ' HB2' ' A' ' 65' ' ' GLN . 3.0 t -63.26 -68.83 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.415 ' N ' HG12 ' A' ' 43' ' ' VAL . 1.5 m -135.77 166.24 23.75 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.443 1.089 . . . . 0.0 110.022 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.451 ' CZ ' ' HB2' ' A' ' 62' ' ' CYS . 0.7 OUTLIER -161.95 112.95 1.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 110.952 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.44 ' CA ' ' OE2' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -132.48 128.18 36.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.287 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.877 HD11 ' CD2' ' A' ' 49' ' ' TYR . 0.5 OUTLIER -108.5 177.49 4.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.267 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.912 HG21 ' CE2' ' A' ' 59' ' ' TYR . 3.4 m -88.44 121.62 38.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.877 ' CD2' HD11 ' A' ' 47' ' ' LEU . 1.0 OUTLIER -120.58 119.63 33.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.953 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 54' ' ' GLY . 1.5 m-20 -75.77 109.75 9.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.12 -27.94 62.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.122 . . . . 0.0 110.318 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.75 -32.03 70.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.461 HG22 ' CD ' ' A' ' 55' ' ' LYS . 3.2 m -109.27 -5.4 15.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.087 . . . . 0.0 110.415 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 56.17 14.5 8.53 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.461 ' CD ' HG22 ' A' ' 53' ' ' THR . 3.2 mttp -118.81 145.52 37.96 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.495 0.762 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.578 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 18.3 Cg_endo -75.01 137.87 22.26 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.46 1.768 . . . . 0.0 110.976 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.783 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -52.04 -56.12 16.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.252 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 142.35 -13.84 2.52 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.127 . . . . 0.0 110.969 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.912 ' CE2' HG21 ' A' ' 48' ' ' VAL . 1.6 p90 -125.56 159.37 32.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.761 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.471 ' CA ' ' HA ' ' A' ' 47' ' ' LEU . . . -163.45 -170.25 28.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.573 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 92.5 m-85 -132.34 137.59 47.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 110.994 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.451 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 34.9 t -121.2 122.11 39.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 108.319 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -100.52 123.53 44.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.503 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 9.3 m-85 -91.14 -175.29 4.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.612 ' HB2' HG23 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -106.74 -15.84 14.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.44 134.27 43.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.46 ' CD ' ' CB ' ' A' ' 15' ' ' LEU . 3.0 mt-30 -58.89 -46.57 87.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.28 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -59.91 -37.03 78.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.342 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.459 HG22 ' CE1' ' A' ' 64' ' ' TYR . 85.2 m -66.5 -42.24 87.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.352 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.503 ' HB2' ' HB2' ' A' ' 64' ' ' TYR . . . -67.91 -40.17 83.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.505 HD23 ' HE3' ' A' ' 74' ' ' MET . 3.7 mt -69.27 -40.55 77.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.427 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 93.6 p -64.23 -38.59 91.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.011 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.925 ' HA ' HG11 ' A' ' 39' ' ' VAL . . . -67.05 -38.5 85.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.616 ' HG2' HG12 ' A' ' 89' ' ' VAL . 0.5 OUTLIER -62.3 -48.03 81.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.59 -26.24 50.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 72' ' ' SER . 20.4 m-20 -78.22 -20.67 51.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.63 ' O ' ' C ' ' A' ' 78' ' ' ASN . 27.2 mt -113.54 -91.95 0.49 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.63 ' C ' ' O ' ' A' ' 77' ' ' LEU . 22.1 p-10 19.71 87.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 97.11 22.57 17.01 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.516 1.135 . . . . 0.0 111.041 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -84.3 119.78 25.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 0.724 . . . . 0.0 110.326 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -64.46 140.49 58.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.34 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.727 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 30.4 t80 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.5 HD21 HG23 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -100.49 96.95 7.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -73.5 117.2 14.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.616 HG12 ' HG2' ' A' ' 74' ' ' MET . 62.1 t -125.53 122.24 62.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.425 1.078 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.71 154.07 46.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.635 HD22 ' HB3' ' A' ' 93' ' ' ALA . 1.0 OUTLIER -47.61 121.28 3.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.33 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.606 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -63.81 -12.12 33.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.635 ' HB3' HD22 ' A' ' 91' ' ' ASN . . . -90.93 24.06 2.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.428 ' HB2' ' ND2' ' A' ' 97' ' ' ASN . 2.9 m -79.78 153.77 28.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 109.993 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -67.59 -33.35 74.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.327 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.19 -33.81 32.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.638 ' O ' HD12 ' A' ' 101' ' ' LEU . 88.4 m-20 -72.31 -19.85 61.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -64.25 -37.35 87.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.425 ' N ' ' HG3' ' A' ' 98' ' ' LYS . 8.8 mt-10 -63.36 -35.25 79.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.253 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.595 ' OE2' ' CE2' ' A' ' 59' ' ' TYR . 4.2 mm-40 -71.71 -43.25 66.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.638 HD12 ' O ' ' A' ' 97' ' ' ASN . 0.4 OUTLIER -62.9 -33.17 74.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -50.6 -28.91 9.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.55 -33.07 21.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.002 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.768 HD13 HG12 ' A' ' 48' ' ' VAL . 2.1 tp . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.157 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.446 HD23 ' HG2' ' A' ' 67' ' ' GLN . 6.7 mp -69.58 -13.31 62.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.483 ' O ' ' CG ' ' A' ' 63' ' ' GLU . 13.5 mtm-85 -106.09 40.07 1.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.547 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 1.2 p -154.27 130.91 10.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.0 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.765 HG11 ' HB3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -125.57 125.62 68.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.418 ' HB3' ' ND2' ' A' ' 97' ' ' ASN . 2.4 t80 -78.43 131.36 36.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 111.038 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.816 HG12 HD11 ' A' ' 23' ' ' ILE . 2.1 t -119.14 137.85 51.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -146.02 -177.66 20.87 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.48 1.113 . . . . 0.0 111.02 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 61.6 24.43 14.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.816 HD11 HG12 ' A' ' 20' ' ' VAL . 3.4 mt -95.45 114.45 63.92 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 178.73 6.88 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.515 1.797 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -74.9 -1.84 24.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 111.026 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.59 -9.97 42.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.312 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.44 ' HB1' HD11 ' A' ' 32' ' ' LEU . . . -124.96 100.26 6.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.937 ' O ' HD22 ' A' ' 32' ' ' LEU . 5.4 p -91.85 174.33 7.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.1 . . . . 0.0 110.401 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.555 ' HG3' HD11 ' A' ' 47' ' ' LEU . 1.7 mt-10 -57.79 -30.36 65.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.04 -33.64 73.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.333 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -89.4 -44.86 9.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.937 HD22 ' O ' ' A' ' 28' ' ' THR . 0.2 OUTLIER -57.13 -49.0 77.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.906 ' HG3' HG11 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -61.48 -37.75 84.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -65.36 -38.95 91.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.911 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 7.6 mt -68.1 -46.74 80.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 1.024 ' CE1' HD22 ' A' ' 77' ' ' LEU . 14.7 m-85 -67.76 -29.13 68.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.457 ' HA ' HG23 ' A' ' 42' ' ' VAL . 53.9 p -63.21 -33.16 74.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.005 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.41 -12.67 61.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.315 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.967 HG11 ' HA ' ' A' ' 73' ' ' ALA . 2.2 t -103.92 7.08 10.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.252 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.457 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 137.8 -178.22 19.31 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 119.67 5.73 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.484 1.781 . . . . 0.0 111.016 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.906 HG11 ' HG3' ' A' ' 33' ' ' LYS . 71.3 t -88.18 122.38 39.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.596 HG12 ' N ' ' A' ' 44' ' ' SER . 2.8 t -71.74 -77.55 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.596 ' N ' HG12 ' A' ' 43' ' ' VAL . 0.4 OUTLIER -132.33 176.66 8.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.962 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.581 ' CE1' HD21 ' A' ' 47' ' ' LEU . 0.8 OUTLIER -171.13 120.92 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.441 ' C ' HD23 ' A' ' 47' ' ' LEU . 18.4 mmt180 -138.1 135.44 35.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.28 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.581 HD21 ' CE1' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -113.29 176.89 4.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.262 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.048 HG21 ' CE2' ' A' ' 59' ' ' TYR . 3.5 m -90.7 121.44 41.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.528 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 1.2 m-85 -123.81 119.82 30.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 54' ' ' GLY . 13.3 m-20 -72.08 109.21 5.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.464 ' CZ ' ' HB2' ' A' ' 51' ' ' ARG . 28.7 mtm105 -73.05 -29.68 63.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.257 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -70.51 -30.84 67.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.328 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.4 p -109.56 -3.15 17.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.418 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 50.72 19.69 3.48 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -118.1 145.13 36.22 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.566 0.804 . . . . 0.0 109.307 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.528 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . 18.3 Cg_endo -75.0 137.63 21.98 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.512 1.796 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.875 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -57.91 -58.25 9.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 138.9 -15.73 3.29 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.506 1.129 . . . . 0.0 111.028 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 1.048 ' CE2' HG21 ' A' ' 48' ' ' VAL . 33.0 p90 -126.01 156.73 39.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 0.736 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.424 ' HA3' HD22 ' A' ' 47' ' ' LEU . . . -164.2 -174.16 33.67 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.699 ' CE1' HD23 ' A' ' 104' ' ' LEU . 30.2 m-85 -132.35 135.6 46.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 0.768 . . . . 0.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.539 ' HB2' ' CE1' ' A' ' 45' ' ' PHE . 12.2 t -106.94 152.7 23.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 108.304 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.483 ' CG ' ' O ' ' A' ' 16' ' ' ARG . 0.8 OUTLIER -119.73 123.35 43.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.262 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.533 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 4.0 m-85 -102.26 -173.78 2.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.477 ' HB2' HG23 ' A' ' 43' ' ' VAL . 9.0 tm0? -113.07 -23.39 10.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.328 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.433 ' HB2' ' CB ' ' A' ' 69' ' ' THR . 0.2 OUTLIER -124.54 134.32 53.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.634 HE21 ' C ' ' A' ' 67' ' ' GLN . 0.0 OUTLIER -61.35 -46.27 90.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -62.54 -37.94 88.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.433 ' CB ' ' HB2' ' A' ' 66' ' ' ASP . 92.2 m -66.55 -42.2 87.51 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.115 . . . . 0.0 110.39 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.533 ' HB2' ' HB2' ' A' ' 64' ' ' TYR . . . -69.22 -39.32 78.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.639 HD23 ' CE ' ' A' ' 74' ' ' MET . 0.5 OUTLIER -69.89 -36.97 75.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.456 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 6.9 m -71.61 -41.76 68.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.014 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.967 ' HA ' HG11 ' A' ' 39' ' ' VAL . . . -68.33 -46.61 69.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.765 ' HB3' HG11 ' A' ' 18' ' ' VAL . 5.3 ptt? -67.07 -41.08 87.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.958 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.492 ' N ' ' CG ' ' A' ' 74' ' ' MET . 23.1 ttt85 -73.73 -31.2 63.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.259 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.456 ' CB ' ' O ' ' A' ' 72' ' ' SER . 41.5 m-20 -78.27 -36.74 46.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 1.024 HD22 ' CE1' ' A' ' 36' ' ' PHE . 8.5 mp -86.47 -25.91 24.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.525 ' CB ' ' O ' ' A' ' 74' ' ' MET . 1.7 t30 -57.27 88.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . 109.02 4.17 31.38 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.526 1.141 . . . . 0.0 110.957 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.0 125.41 30.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 0.0 110.249 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.28 140.27 40.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.911 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 39.1 t80 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.59 HD22 HD23 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -110.13 98.2 7.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.251 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.34 89.67 7.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.282 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.502 HG21 ' CB ' ' A' ' 77' ' ' LEU . 2.0 t -106.39 124.25 61.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -140.3 140.55 35.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.439 ' O ' ' ND2' ' A' ' 97' ' ' ASN . 0.6 OUTLIER -38.71 126.96 1.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.337 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -68.99 -8.52 45.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.244 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.429 ' HB3' ' OD1' ' A' ' 91' ' ' ASN . . . -91.01 23.34 3.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.2 t -79.77 148.02 31.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.009 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -65.4 -32.61 74.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.142 . . . . 0.0 110.281 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 6.4 ptmt -81.12 -33.56 33.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.641 ' O ' HD12 ' A' ' 101' ' ' LEU . 83.1 m-20 -72.06 -19.59 61.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.457 ' HE2' ' CA ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -64.3 -40.45 95.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.361 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.457 ' CA ' ' HE2' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -61.55 -43.59 98.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.305 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -71.66 -35.94 70.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.258 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.641 HD12 ' O ' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -61.9 -36.34 81.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.94 -29.96 0.92 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.81 -37.93 18.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.112 . . . . 0.0 109.972 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 1.015 HD21 HG13 ' A' ' 48' ' ' VAL . 1.6 mm? . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.911 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.966 HD22 ' NE2' ' A' ' 67' ' ' GLN . 1.0 OUTLIER -68.33 -17.91 64.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.485 ' O ' ' O ' ' A' ' 17' ' ' SER . 1.0 OUTLIER -99.35 -159.74 0.76 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.268 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.529 ' O ' ' CB ' ' A' ' 92' ' ' ALA . 1.1 p 56.1 119.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.968 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.521 HG12 ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -123.8 124.94 70.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.585 ' CD1' ' OD2' ' A' ' 90' ' ' ASP . 5.0 t80 -73.65 129.41 37.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.507 HG21 ' CZ ' ' A' ' 45' ' ' PHE . 2.2 t -119.94 132.34 69.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -132.23 -173.41 13.31 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.533 1.146 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 62.73 22.08 13.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 0.779 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.659 HG12 HD13 ' A' ' 87' ' ' LEU . 2.3 mt -96.92 114.36 64.48 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.403 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 18.4 Cg_endo -75.03 178.4 7.32 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.457 1.767 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.562 ' CE2' ' HD2' ' A' ' 56' ' ' PRO . 3.2 m-85 -72.85 -9.66 58.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.7 -9.67 42.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.331 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.527 ' HB3' HG22 ' A' ' 23' ' ' ILE . . . -108.2 96.31 6.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.969 ' O ' HD22 ' A' ' 32' ' ' LEU . 7.3 p -90.6 174.79 7.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.432 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.689 ' HG3' HD11 ' A' ' 47' ' ' LEU . 45.5 mt-10 -57.71 -29.46 64.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.264 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.11 -33.47 72.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -91.06 -45.13 8.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.969 HD22 ' O ' ' A' ' 28' ' ' THR . 0.2 OUTLIER -57.27 -49.16 76.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.511 ' HG3' HG11 ' A' ' 42' ' ' VAL . 6.2 ttpt -61.58 -37.81 85.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.93 -38.94 89.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.23 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.935 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 7.9 mt -68.36 -46.87 79.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.464 ' HZ ' HG22 ' A' ' 20' ' ' VAL . 2.0 m-85 -67.98 -29.36 68.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.458 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 59.9 p -63.6 -34.57 78.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 109.988 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.412 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 9.1 tp10 -71.14 -12.62 61.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.623 HG21 HD11 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -104.24 7.1 10.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.458 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 140.01 176.45 15.03 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.469 1.106 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.725 ' HD2' HG21 ' A' ' 69' ' ' THR . 18.1 Cg_endo -75.02 109.74 2.99 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.476 1.777 . . . . 0.0 111.008 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.522 ' CG2' ' SG ' ' A' ' 62' ' ' CYS . 14.5 p -87.94 137.91 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.671 HG12 ' N ' ' A' ' 44' ' ' SER . 2.7 t -89.97 -80.98 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.671 ' N ' HG12 ' A' ' 43' ' ' VAL . 0.4 OUTLIER -124.74 163.71 21.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.988 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.601 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.6 OUTLIER -153.03 115.7 4.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -130.38 130.99 45.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.285 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.739 HD23 ' HA3' ' A' ' 60' ' ' GLY . 0.2 OUTLIER -110.75 177.37 4.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.924 HG12 HD13 ' A' ' 104' ' ' LEU . 3.9 m -89.36 121.65 39.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.53 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 0.8 OUTLIER -126.74 118.91 25.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 54' ' ' GLY . 14.0 m-20 -71.01 109.32 5.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.7 mtm180 -73.05 -30.52 63.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -71.6 -32.54 68.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 110.294 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.5 m -106.03 -3.87 21.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.393 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 50.24 20.53 3.52 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.457 1.098 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.6 mmtt -117.89 145.33 36.43 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.562 ' HD2' ' CE2' ' A' ' 25' ' ' TYR . 18.4 Cg_endo -74.96 140.88 26.09 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.465 1.771 . . . . 0.0 111.017 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.904 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -62.68 -56.15 20.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 138.57 -20.04 3.14 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.519 1.137 . . . . 0.0 111.033 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.911 ' CE2' HG21 ' A' ' 48' ' ' VAL . 36.8 p90 -124.27 156.88 36.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 0.798 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.739 ' HA3' HD23 ' A' ' 47' ' ' LEU . . . -157.74 -172.65 25.18 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.408 ' CE2' HD11 ' A' ' 101' ' ' LEU . 92.5 m-85 -132.57 137.71 47.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 0.775 . . . . 0.0 111.002 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.601 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 4.9 t -114.07 120.32 40.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 108.297 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -96.42 123.41 40.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.273 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -101.2 179.48 4.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.611 ' HG3' HG21 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -108.09 -9.38 15.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.279 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.445 ' HB2' ' CB ' ' A' ' 69' ' ' THR . 0.0 OUTLIER -125.95 128.87 48.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.966 ' NE2' HD22 ' A' ' 15' ' ' LEU . 43.2 tt0 -64.63 -46.84 80.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -61.17 -37.37 82.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.725 HG21 ' HD2' ' A' ' 41' ' ' PRO . 84.8 m -66.42 -39.15 88.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.382 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.31 -40.33 89.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.541 ' C ' HD12 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -70.37 -49.0 53.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.414 ' N ' ' HG ' ' A' ' 71' ' ' LEU . 3.8 m -60.1 -38.44 82.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.995 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.48 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . . . -66.64 -37.95 85.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.634 ' O ' ' HB3' ' A' ' 78' ' ' ASN . 0.2 OUTLIER -62.11 -47.95 82.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.968 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -77.63 -26.85 50.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.327 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.487 ' CB ' ' CG1' ' A' ' 39' ' ' VAL . 1.8 m120 -68.48 -35.26 77.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.877 ' HB2' HG21 ' A' ' 89' ' ' VAL . 4.0 mt -103.87 -75.66 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.634 ' HB3' ' O ' ' A' ' 74' ' ' MET . 1.0 OUTLIER 36.8 33.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.163 . . . . 0.0 109.293 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.478 ' O ' ' HB1' ' A' ' 86' ' ' ALA . . . 117.0 49.82 0.41 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.777 ' CB ' HD23 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -81.7 125.6 30.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.484 0.755 . . . . 0.0 110.291 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.92 134.27 56.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.935 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 15.8 t80 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.478 ' HB1' ' O ' ' A' ' 79' ' ' GLY . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.659 HD13 HG12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -94.46 95.39 8.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.5 130.75 48.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.308 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.877 HG21 ' HB2' ' A' ' 77' ' ' LEU . 6.0 t -125.85 133.56 68.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.585 ' OD2' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -139.32 155.88 47.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.456 ' N ' ' SD ' ' A' ' 74' ' ' MET . 0.1 OUTLIER -78.48 125.02 28.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -59.06 -14.78 10.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.911 ' HB2' ' O ' ' A' ' 14' ' ' SER . . . -86.02 18.46 3.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.352 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.42 149.6 31.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 110.004 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -68.13 -36.54 79.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.281 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.2 pttt -80.57 -29.2 37.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.774 ' O ' HD12 ' A' ' 101' ' ' LEU . 1.7 m-80 -72.24 -19.84 61.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.31 -29.87 70.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.73 -42.24 74.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.438 ' OE2' ' CE2' ' A' ' 59' ' ' TYR . 6.6 mm-40 -71.52 -44.47 64.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.774 HD12 ' O ' ' A' ' 97' ' ' ASN . 0.4 OUTLIER -63.3 -32.97 74.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.307 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -54.52 -28.66 46.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.75 -36.22 20.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.008 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.924 HD13 HG12 ' A' ' 48' ' ' VAL . 2.9 tp . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.456 ' HB3' ' CG ' ' A' ' 67' ' ' GLN . 0.2 OUTLIER -69.28 -16.87 63.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.556 ' O ' ' HB1' ' A' ' 70' ' ' ALA . 35.7 mtm-85 -87.49 -63.91 1.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.559 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 36.6 m -37.4 117.3 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 0.0 109.998 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.447 ' CG1' ' HG3' ' A' ' 74' ' ' MET . 0.4 OUTLIER -111.49 125.73 68.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.53 ' CD1' ' OD2' ' A' ' 90' ' ' ASP . 4.1 t80 -80.05 129.45 34.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.927 HG12 HD11 ' A' ' 23' ' ' ILE . 12.9 t -115.7 132.99 63.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.115 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.78 -176.74 14.52 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 61.18 24.4 14.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 0.754 . . . . 0.0 109.332 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.927 HD11 HG12 ' A' ' 20' ' ' VAL . 3.4 mt -95.22 114.44 63.77 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -177.62 3.6 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.533 1.807 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.576 ' CE2' ' HD2' ' A' ' 56' ' ' PRO . 4.8 m-85 -77.57 -6.91 55.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 111.062 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -91.61 -9.91 42.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 110.313 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.44 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -113.12 95.62 5.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . 1.0 ' O ' HD22 ' A' ' 32' ' ' LEU . 6.8 p -90.76 174.25 7.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 110.388 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.757 ' HG3' HD11 ' A' ' 47' ' ' LEU . 26.1 mt-10 -58.0 -30.05 65.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.65 -33.57 73.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.267 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -89.71 -45.19 9.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.345 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.0 HD22 ' O ' ' A' ' 28' ' ' THR . 0.2 OUTLIER -57.18 -49.11 76.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.25 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.976 ' HG3' HG11 ' A' ' 42' ' ' VAL . 0.5 OUTLIER -61.03 -37.97 84.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -65.98 -37.7 86.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.67 HD11 ' CE2' ' A' ' 82' ' ' PHE . 24.0 mt -68.17 -47.39 78.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.466 ' HB3' ' CG2' ' A' ' 42' ' ' VAL . 0.2 OUTLIER -68.43 -29.1 67.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.428 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 57.8 p -62.33 -41.98 99.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.994 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -66.01 -12.09 52.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.951 HG21 HD11 ' A' ' 77' ' ' LEU . 6.1 t -103.93 7.01 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.428 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 137.49 -175.84 20.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.544 1.152 . . . . 0.0 110.965 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 132.24 15.18 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.485 1.781 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.976 HG11 ' HG3' ' A' ' 33' ' ' LYS . 31.1 t -106.09 139.43 27.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.616 HG12 ' N ' ' A' ' 44' ' ' SER . 3.1 t -97.19 -79.88 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.616 ' N ' HG12 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -125.39 171.29 10.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.996 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.55 ' CE2' ' HB2' ' A' ' 62' ' ' CYS . 0.7 OUTLIER -167.53 114.6 0.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.964 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -135.08 132.27 37.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.757 HD11 ' HG3' ' A' ' 29' ' ' GLU . 0.2 OUTLIER -107.15 177.69 4.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 109.3 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.043 HG12 HD13 ' A' ' 104' ' ' LEU . 3.7 m -88.82 121.58 39.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.524 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 0.8 OUTLIER -128.48 118.83 23.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.147 . . . . 0.0 110.981 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 54' ' ' GLY . 13.7 m-20 -70.12 109.31 4.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 64.5 mtt180 -72.97 -29.91 63.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -70.88 -32.32 69.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.467 ' OG1' ' CB ' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -111.88 5.77 19.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.402 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 39.49 27.91 0.1 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 53' ' ' THR . 3.7 ptmt -117.83 144.65 34.91 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.576 ' HD2' ' CE2' ' A' ' 25' ' ' TYR . 18.3 Cg_endo -75.01 142.22 27.56 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.511 1.795 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.928 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -68.04 -55.35 12.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 136.97 -20.48 3.41 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.488 1.118 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.913 ' CE2' HG21 ' A' ' 48' ' ' VAL . 39.4 p90 -125.51 156.88 38.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 0.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.739 ' HA3' HD23 ' A' ' 47' ' ' LEU . . . -157.27 -173.34 25.57 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.483 1.115 . . . . 0.0 110.958 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.571 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 61.1 m-85 -132.2 137.69 47.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.55 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 25.5 t -114.96 125.57 53.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 108.312 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.409 ' HG3' ' CB ' ' A' ' 44' ' ' SER . 1.6 pt-20 -98.87 123.31 43.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.824 ' CE1' HG22 ' A' ' 69' ' ' THR . 2.3 m-85 -95.04 -168.65 1.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.946 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.486 ' HB2' HG23 ' A' ' 43' ' ' VAL . 2.9 tt0 -115.07 -14.91 11.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -135.13 132.68 38.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.456 ' CG ' ' HB3' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -59.69 -43.2 94.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.279 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.82 -38.04 80.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.824 HG22 ' CE1' ' A' ' 64' ' ' TYR . 33.9 m -67.99 -39.38 83.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.416 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.556 ' HB1' ' O ' ' A' ' 16' ' ' ARG . . . -68.11 -39.38 82.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.1 mt -70.15 -46.23 65.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.7 m -63.86 -38.0 89.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.994 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.772 ' HA ' HG11 ' A' ' 39' ' ' VAL . . . -66.87 -38.39 86.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.607 ' O ' ' HB3' ' A' ' 78' ' ' ASN . 1.7 mtp -62.65 -47.85 81.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.969 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.34 -26.83 52.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.281 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -68.69 -35.71 77.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.951 HD11 HG21 ' A' ' 39' ' ' VAL . 9.2 mp -104.41 -72.33 0.71 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.607 ' HB3' ' O ' ' A' ' 74' ' ' MET . 1.0 OUTLIER 36.79 33.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.522 ' O ' ' HB1' ' A' ' 86' ' ' ALA . . . 116.97 53.86 0.32 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.83 121.31 26.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 0.748 . . . . 0.0 110.322 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -54.89 137.61 45.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.311 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.67 ' CE2' HD11 ' A' ' 35' ' ' ILE . 7.8 t80 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 111.025 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.522 ' HB1' ' O ' ' A' ' 79' ' ' GLY . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.529 HD21 HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -82.38 93.54 7.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' A' ' 20' ' ' VAL . 12.3 mmt85 -60.54 128.23 35.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.721 HG21 ' HB2' ' A' ' 77' ' ' LEU . 3.1 t -125.55 124.62 67.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.53 ' OD2' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -139.7 154.62 47.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.453 ' N ' ' SD ' ' A' ' 74' ' ' MET . 0.5 OUTLIER -61.93 123.93 19.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.248 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -62.33 -13.82 33.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -91.52 24.37 3.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.77 150.55 30.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.025 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -63.38 -36.88 85.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -81.35 -33.82 32.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.47 ' N ' HD21 ' A' ' 97' ' ' ASN . 0.8 OUTLIER -72.32 -19.85 61.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 109.259 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -36.95 85.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.492 ' O ' ' CG ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -63.98 -37.8 88.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.312 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.461 ' OE2' ' CZ ' ' A' ' 59' ' ' TYR . 6.5 mm-40 -71.61 -42.8 67.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.571 ' HG ' ' CZ ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -62.87 -32.78 74.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.492 ' CG ' ' O ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -50.93 -29.15 11.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.56 -35.1 21.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.003 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 1.043 HD13 HG12 ' A' ' 48' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 71.1 m . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.461 ' HB3' ' CG ' ' A' ' 67' ' ' GLN . 1.1 mt -70.2 -13.38 62.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.0 mtm-85 -103.61 59.91 0.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.597 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 9.3 m -176.27 138.33 0.32 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.022 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.635 HG12 ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -124.47 125.55 70.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.358 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.48 ' CZ ' ' OE1' ' A' ' 100' ' ' GLU . 28.4 t80 -76.56 129.19 36.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.445 ' HB ' HD11 ' A' ' 23' ' ' ILE . 2.1 t -117.7 133.1 65.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.51 -172.34 12.91 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.2 t30 51.26 36.42 16.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 0.786 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.927 HD13 ' CD2' ' A' ' 32' ' ' LEU . 3.4 mt -95.48 114.47 63.98 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.502 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 18.3 Cg_endo -75.03 167.06 27.84 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 110.971 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.6 m-30 -66.64 -8.59 28.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -91.72 -11.72 36.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.258 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.553 ' HB1' HD11 ' A' ' 32' ' ' LEU . . . -115.97 95.87 5.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.544 ' O ' HD13 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -90.09 173.77 8.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.428 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.448 ' OE2' ' N ' ' A' ' 47' ' ' LEU . 41.2 mt-10 -58.29 -30.86 66.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.309 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.38 -33.37 75.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.292 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -85.72 -43.68 13.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.927 ' CD2' HD13 ' A' ' 23' ' ' ILE . 11.1 mp -60.59 -49.0 79.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.16 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.407 ' HD2' ' CG1' ' A' ' 42' ' ' VAL . 2.3 ttpp -56.36 -38.15 71.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -65.69 -38.15 88.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 0.0 109.349 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.896 HD12 ' HA ' ' A' ' 32' ' ' LEU . 8.2 mt -68.16 -47.06 80.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.849 ' CE1' HD13 ' A' ' 77' ' ' LEU . 3.8 m-85 -67.94 -29.07 68.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.488 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 54.2 p -62.66 -32.34 73.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 110.013 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.55 -11.16 22.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.332 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.851 HG11 ' CA ' ' A' ' 73' ' ' ALA . 60.9 t -102.3 -7.92 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.488 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 149.45 -167.45 29.69 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.467 1.104 . . . . 0.0 111.033 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.522 ' HD2' HG21 ' A' ' 69' ' ' THR . 18.1 Cg_endo -75.06 136.41 20.25 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.457 1.767 . . . . 0.0 110.953 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.407 ' CG1' ' HD2' ' A' ' 33' ' ' LYS . 71.9 t -106.06 122.3 59.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.476 ' CG2' ' HB2' ' A' ' 65' ' ' GLN . 59.6 t -70.87 -60.63 2.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.59 164.05 32.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.973 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.585 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.4 OUTLIER -143.23 122.22 12.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -132.4 131.66 42.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.87 HD11 ' CE2' ' A' ' 49' ' ' TYR . 1.3 pp -122.55 178.38 5.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.961 HG13 HD21 ' A' ' 104' ' ' LEU . 3.3 m -86.33 120.92 36.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.87 ' CE2' HD11 ' A' ' 47' ' ' LEU . 0.9 OUTLIER -123.06 119.29 29.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 111.044 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 54' ' ' GLY . 11.9 m-20 -72.62 109.21 6.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -73.71 -29.89 62.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -70.71 -32.42 69.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 110.313 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.459 ' OG1' ' CB ' ' A' ' 50' ' ' ASP . 1.0 OUTLIER -111.89 3.48 17.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.41 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 43.1 24.72 0.31 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.455 1.097 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.404 ' N ' ' C ' ' A' ' 53' ' ' THR . 3.1 mttt -118.27 145.78 37.92 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.56 0.8 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.579 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 18.3 Cg_endo -75.02 137.51 21.77 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.54 1.81 . . . . 0.0 111.028 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.872 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -59.65 -58.59 7.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 140.64 -16.31 2.87 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.906 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 40.8 p90 -126.74 157.21 39.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 0.78 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.481 ' HA3' ' CB ' ' A' ' 47' ' ' LEU . . . -168.28 -172.93 35.74 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.518 1.136 . . . . 0.0 110.987 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.575 ' CE2' ' HG ' ' A' ' 101' ' ' LEU . 37.0 m-85 -132.82 137.53 46.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 111.034 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.585 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 26.3 t -114.71 126.79 55.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 108.308 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.446 ' HA ' ' HA ' ' A' ' 17' ' ' SER . 4.4 tt0 -99.28 130.98 45.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.254 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.644 ' CE1' HG22 ' A' ' 69' ' ' THR . 7.2 m-85 -99.78 -168.61 1.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.476 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -109.59 -20.33 12.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.269 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -136.77 137.64 40.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.686 ' OE1' HD12 ' A' ' 71' ' ' LEU . 2.2 tm0? -57.26 -38.84 74.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 0.0 110.256 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -63.26 -37.82 88.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.644 HG22 ' CE1' ' A' ' 64' ' ' TYR . 25.7 m -66.88 -43.19 84.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 0.0 110.412 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.472 ' HB2' ' HB2' ' A' ' 64' ' ' TYR . . . -67.89 -39.39 83.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.686 HD12 ' OE1' ' A' ' 67' ' ' GLN . 6.2 mt -68.38 -42.61 78.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.466 ' C ' HG11 ' A' ' 39' ' ' VAL . 5.9 t -62.74 -38.8 91.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.973 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.851 ' CA ' HG11 ' A' ' 39' ' ' VAL . . . -66.56 -38.56 87.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.635 ' HG3' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -61.45 -48.5 80.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.9 ttm105 -76.76 -26.95 55.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -77.66 -18.96 56.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.849 HD13 ' CE1' ' A' ' 36' ' ' PHE . 4.7 mt -119.39 -80.14 0.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.545 ' HB3' ' O ' ' A' ' 74' ' ' MET . 7.3 p-10 31.07 66.74 0.14 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.46 53.79 2.69 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.466 1.104 . . . . 0.0 111.014 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -88.32 121.01 30.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 110.344 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.81 135.34 47.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.331 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.45 ' CE2' HD11 ' A' ' 35' ' ' ILE . 14.1 t80 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 111.029 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.657 ' O ' HG23 ' A' ' 89' ' ' VAL . 1.9 mm? -90.58 87.88 6.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.93 124.8 18.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.336 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.707 HG21 ' HB2' ' A' ' 77' ' ' LEU . 3.3 t -125.32 124.23 66.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -139.63 135.91 33.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 90' ' ' ASP . 2.1 t30 -37.83 136.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.597 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -82.93 48.46 1.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.404 ' HB3' HD22 ' A' ' 91' ' ' ASN . . . -156.2 24.99 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.496 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -78.45 155.86 29.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.983 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -68.39 -33.28 73.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.1 pttt -82.22 -36.01 27.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.501 ' C ' ' OD1' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -73.54 -16.69 61.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.457 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 0.1 OUTLIER -60.71 -35.53 76.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -68.16 -37.56 81.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.333 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.48 ' OE1' ' CZ ' ' A' ' 19' ' ' PHE . 8.7 mt-10 -72.13 -42.96 65.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.575 ' HG ' ' CE2' ' A' ' 61' ' ' PHE . 2.9 mt -60.84 -38.61 86.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.7 tttt -46.33 -30.88 2.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.4 m -85.78 -33.4 21.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.032 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.961 HD21 HG13 ' A' ' 48' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.593 ' CB ' ' HB2' ' A' ' 93' ' ' ALA . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.579 ' HA ' HD22 ' A' ' 91' ' ' ASN . 1.1 mt -71.25 -12.71 61.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.49 ' O ' ' HB1' ' A' ' 70' ' ' ALA . 13.4 mtp180 -88.56 -79.41 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.29 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.503 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 16.7 m -38.55 114.01 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.025 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.449 ' CG1' ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -111.68 126.01 69.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 109.339 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.483 ' CE2' ' HB2' ' A' ' 59' ' ' TYR . 2.3 t80 -78.39 129.84 35.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.528 HG12 HD11 ' A' ' 23' ' ' ILE . 2.8 t -115.67 133.43 62.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -134.35 -174.53 13.52 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.43 1.081 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.445 ' CB ' ' O ' ' A' ' 86' ' ' ALA . 7.0 m-20 62.03 24.73 14.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 0.742 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.828 HG21 HD21 ' A' ' 32' ' ' LEU . 2.9 mt -96.44 113.87 63.34 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 174.83 12.09 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.464 1.771 . . . . 0.0 111.037 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.564 ' CE2' ' HD2' ' A' ' 56' ' ' PRO . 3.8 m-85 -74.31 -4.57 36.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 111.042 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.55 -9.32 44.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.155 . . . . 0.0 110.341 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.722 ' HB1' ' CD ' ' A' ' 31' ' ' GLN . . . -121.45 105.95 10.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.824 ' O ' HD22 ' A' ' 32' ' ' LEU . 4.5 p -95.95 176.93 5.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.355 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.882 ' HG3' HD11 ' A' ' 47' ' ' LEU . 24.4 mt-10 -55.32 -27.58 47.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -59.53 -33.08 70.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.722 ' CD ' ' HB1' ' A' ' 27' ' ' ALA . 0.2 OUTLIER -90.17 -45.61 8.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.26 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.828 HD21 HG21 ' A' ' 23' ' ' ILE . 0.4 OUTLIER -56.74 -49.02 76.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.918 ' HG3' HG11 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -61.36 -37.71 84.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.231 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.37 -39.18 91.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.164 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.674 HG22 HD21 ' A' ' 77' ' ' LEU . 43.9 mt -68.09 -46.67 81.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.436 ' HZ ' HG22 ' A' ' 20' ' ' VAL . 3.9 m-85 -67.75 -29.42 68.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 111.059 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.486 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 54.5 p -63.96 -33.54 75.95 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.462 1.101 . . . . 0.0 110.0 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -63.7 -10.84 21.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.412 1.07 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.526 HG11 ' HB2' ' A' ' 73' ' ' ALA . 5.0 t -101.92 -11.07 8.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.486 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 148.26 -163.65 28.94 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.518 1.136 . . . . 0.0 110.97 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 135.29 18.85 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.499 1.789 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.918 HG11 ' HG3' ' A' ' 33' ' ' LYS . 70.7 t -106.14 122.31 59.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.582 HG23 ' HB2' ' A' ' 65' ' ' GLN . 2.6 t -72.91 -74.44 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.57 ' N ' HG12 ' A' ' 43' ' ' VAL . 0.2 OUTLIER -137.33 174.45 10.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.0 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.589 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.7 OUTLIER -167.5 113.2 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -132.99 137.34 46.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.882 HD11 ' HG3' ' A' ' 29' ' ' GLU . 0.2 OUTLIER -111.78 178.6 4.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 1.069 HG12 HD13 ' A' ' 104' ' ' LEU . 3.3 m -90.22 122.45 41.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.517 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 0.9 OUTLIER -127.29 119.35 26.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 54' ' ' GLY . 26.5 m-20 -71.55 109.28 5.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 78.3 mtm-85 -72.99 -31.97 64.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -71.89 -32.72 67.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 60.3 m -104.49 -3.4 24.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 110.397 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 48.43 21.43 2.0 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.5 mmtt -118.06 144.93 35.74 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 0.757 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.564 ' HD2' ' CE2' ' A' ' 25' ' ' TYR . 18.2 Cg_endo -74.97 139.59 24.54 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.48 1.779 . . . . 0.0 110.983 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.887 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -61.46 -56.64 17.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.262 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 137.81 -21.37 3.2 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.544 1.152 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.859 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 53.1 p90 -124.64 157.25 35.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 0.789 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.763 ' HA3' HD23 ' A' ' 47' ' ' LEU . . . -156.35 -171.86 23.1 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.567 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 72.4 m-85 -132.33 137.76 47.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 0.764 . . . . 0.0 110.98 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.589 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 24.3 t -114.07 124.16 51.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 108.313 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.93 125.92 46.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.542 ' CE1' HG22 ' A' ' 69' ' ' THR . 2.6 m-85 -95.13 -167.35 1.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.582 ' HB2' HG23 ' A' ' 43' ' ' VAL . 3.4 tt0 -114.58 -15.01 12.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.252 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -139.94 135.89 33.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.521 ' NE2' HD13 ' A' ' 15' ' ' LEU . 11.3 tt0 -57.44 -38.57 74.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -63.03 -37.77 88.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.542 HG22 ' CE1' ' A' ' 64' ' ' TYR . 3.0 m -67.53 -42.51 82.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.438 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.49 ' HB1' ' O ' ' A' ' 16' ' ' ARG . . . -68.06 -39.46 83.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.9 mt -69.16 -42.15 76.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.409 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 3.6 m -64.78 -37.78 88.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.951 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.526 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -66.76 -38.63 86.98 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.661 ' HG2' HG12 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -63.56 -47.02 83.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 111.018 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.78 -25.59 49.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.281 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.409 ' CB ' ' O ' ' A' ' 72' ' ' SER . 3.6 m120 -75.6 -35.33 60.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.674 HD21 HG22 ' A' ' 35' ' ' ILE . 6.1 mp -103.67 -91.36 0.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.512 ' CB ' ' O ' ' A' ' 74' ' ' MET . 1.2 t-20 37.72 88.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 71.74 43.16 52.06 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.479 1.112 . . . . 0.0 110.963 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.11 120.56 27.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.782 . . . . 0.0 110.313 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -60.73 135.6 57.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.656 ' CE1' ' NE2' ' A' ' 31' ' ' GLN . 5.3 t80 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.445 ' O ' ' CB ' ' A' ' 22' ' ' ASN . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.254 -0.646 . . . . 0.0 109.254 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.567 ' O ' HG23 ' A' ' 89' ' ' VAL . 0.2 OUTLIER -89.36 94.5 9.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.04 110.61 2.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 110.288 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.661 HG12 ' HG2' ' A' ' 74' ' ' MET . 38.9 t -115.42 121.55 67.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.76 154.4 46.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.579 HD22 ' HA ' ' A' ' 15' ' ' LEU . 0.9 OUTLIER -54.19 122.68 10.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.274 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -57.45 -17.98 15.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.593 ' HB2' ' CB ' ' A' ' 14' ' ' SER . . . -90.73 38.46 0.95 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.407 ' HB2' ' ND2' ' A' ' 97' ' ' ASN . 0.4 OUTLIER -92.23 154.47 18.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.972 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.75 -36.89 82.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -81.47 -33.86 31.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.407 ' ND2' ' HB2' ' A' ' 94' ' ' SER . 78.9 m-20 -72.34 -19.83 61.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -64.54 -43.95 92.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -62.53 -36.05 81.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.244 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.541 ' OE1' ' CZ ' ' A' ' 59' ' ' TYR . 2.0 mm-40 -71.57 -42.94 67.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.284 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.567 ' HG ' ' CZ ' ' A' ' 61' ' ' PHE . 0.6 OUTLIER -63.02 -32.77 74.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -51.96 -28.49 16.88 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.45 -35.95 20.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.012 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 1.069 HD13 HG12 ' A' ' 48' ' ' VAL . 3.3 tp . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.1 t0 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.464 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 18.2 Cg_endo -74.99 166.36 29.38 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.543 1.812 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 177.43 45.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 36.2 t -85.88 -32.88 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.565 ' HA ' HD12 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -59.53 -34.95 73.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.259 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.49 -38.15 74.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.34 -40.38 94.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 110.031 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.565 HD12 ' HA ' ' A' ' 12' ' ' ASP . 2.5 mt -69.54 -13.55 62.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.0 mtm-85 -111.18 76.12 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.297 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.508 ' O ' ' CB ' ' A' ' 92' ' ' ALA . 3.2 m 175.27 125.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.991 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.577 HG12 ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -117.45 125.88 74.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.418 ' CE1' ' HB2' ' A' ' 59' ' ' TYR . 24.6 t80 -79.4 129.23 34.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.912 HG12 HD11 ' A' ' 23' ' ' ILE . 2.8 t -117.25 133.22 64.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -138.66 -175.62 14.08 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.483 1.114 . . . . 0.0 111.052 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.7 t30 62.61 21.9 12.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.755 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.912 HD11 HG12 ' A' ' 20' ' ' VAL . 3.1 mt -95.43 114.43 63.86 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.467 ' CD ' ' HB3' ' A' ' 83' ' ' SER . 18.3 Cg_endo -75.0 -175.49 2.39 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.549 1.815 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.572 ' CE2' ' HD2' ' A' ' 56' ' ' PRO . 3.6 m-85 -75.39 -4.72 41.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 111.022 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -91.6 -15.71 28.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.637 ' HB3' HG22 ' A' ' 23' ' ' ILE . . . -110.49 93.42 4.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.975 ' O ' HD22 ' A' ' 32' ' ' LEU . 7.5 p -90.88 174.81 7.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.385 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.411 ' CD ' ' O ' ' A' ' 45' ' ' PHE . 13.1 mt-10 -57.73 -30.22 65.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -61.12 -33.81 73.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.266 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -88.5 -45.18 10.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.975 HD22 ' O ' ' A' ' 28' ' ' THR . 0.3 OUTLIER -57.01 -48.84 77.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.353 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -61.24 -37.87 84.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.25 -39.19 92.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.681 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 20.2 mt -67.57 -46.97 81.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.565 ' CE1' HD22 ' A' ' 77' ' ' LEU . 3.5 m-85 -68.27 -27.53 66.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 111.011 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.485 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 35.5 p -61.48 -32.93 72.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 110.048 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -68.03 -13.51 62.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.268 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.911 HG11 ' CA ' ' A' ' 73' ' ' ALA . 24.2 t -104.88 1.07 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.485 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 133.64 176.33 14.34 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.46 1.1 . . . . 0.0 110.973 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 123.34 7.82 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.544 1.812 . . . . 0.0 111.035 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.1 m -92.79 122.2 44.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.243 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.54 HG23 ' N ' ' A' ' 65' ' ' GLN . 97.9 t -55.91 -58.92 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.346 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.88 161.91 39.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 110.022 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.592 ' CE1' HD21 ' A' ' 47' ' ' LEU . 0.6 OUTLIER -147.07 116.96 7.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 111.0 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.494 ' C ' HD23 ' A' ' 47' ' ' LEU . 7.3 mmt180 -128.14 136.61 51.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.592 HD21 ' CE1' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -117.99 174.93 5.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.998 HG21 ' CE2' ' A' ' 59' ' ' TYR . 3.4 m -88.1 121.93 39.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.556 ' CE1' ' HB3' ' A' ' 56' ' ' PRO . 1.1 m-85 -126.21 119.28 27.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 54' ' ' GLY . 15.6 m-20 -72.14 109.09 5.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -73.1 -30.34 63.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.272 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -71.31 -32.45 68.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.461 HG22 ' CD ' ' A' ' 55' ' ' LYS . 18.5 m -105.91 -4.14 21.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.41 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 51.01 19.9 3.99 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.461 ' CD ' HG22 ' A' ' 53' ' ' THR . 0.8 OUTLIER -117.92 145.49 36.84 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.53 0.783 . . . . 0.0 109.333 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.572 ' HD2' ' CE2' ' A' ' 25' ' ' TYR . 18.4 Cg_endo -74.99 137.88 22.32 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.486 1.782 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.859 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -57.87 -57.41 12.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 137.92 -18.86 3.33 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.438 1.086 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.998 ' CE2' HG21 ' A' ' 48' ' ' VAL . 26.2 p90 -124.57 156.91 36.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.753 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.537 ' HA3' HD22 ' A' ' 47' ' ' LEU . . . -161.67 -174.35 31.44 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.476 1.11 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.567 ' CE2' ' HG ' ' A' ' 101' ' ' LEU . 75.5 m-85 -131.96 139.89 48.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.754 . . . . 0.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 26.0 t -117.6 121.99 42.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 108.29 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -100.25 123.51 44.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.298 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.462 ' C ' HG23 ' A' ' 43' ' ' VAL . 9.8 m-85 -93.58 -170.7 2.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.54 ' N ' HG23 ' A' ' 43' ' ' VAL . 2.2 tt0 -109.0 -15.12 14.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -136.91 134.27 36.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.431 ' CG ' ' HB3' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -57.26 -40.82 78.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.311 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -62.36 -37.68 86.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.274 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.409 HG22 ' CE1' ' A' ' 64' ' ' TYR . 23.6 m -65.57 -44.16 87.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 110.413 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.443 ' HB2' ' HB2' ' A' ' 64' ' ' TYR . . . -67.65 -39.52 84.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.3 mt -67.47 -42.0 83.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.0 t -62.96 -38.34 90.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.967 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.911 ' CA ' HG11 ' A' ' 39' ' ' VAL . . . -66.61 -38.26 86.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.577 ' HG3' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -63.28 -46.8 85.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.6 ttm180 -77.44 -26.12 51.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.352 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -75.49 -35.05 60.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.656 HD21 HG22 ' A' ' 35' ' ' ILE . 8.2 mp -103.14 -90.92 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 74' ' ' MET . 1.5 t30 37.62 88.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.98 37.66 87.95 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.86 121.44 26.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 110.285 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.5 136.2 57.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.681 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 6.0 t80 178.76 -40.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.559 ' OG ' HD21 ' A' ' 87' ' ' LEU . 12.5 m -89.3 20.66 3.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.142 . . . . 0.0 110.002 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.6 5.97 89.16 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.469 1.105 . . . . 0.0 111.027 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.674 ' O ' ' HB2' ' A' ' 86' ' ' ALA . 0.1 OUTLIER -144.02 -66.9 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 0.792 . . . . 0.0 110.291 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.674 ' HB2' ' O ' ' A' ' 85' ' ' ARG . . . 164.06 142.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.687 HD13 HG12 ' A' ' 23' ' ' ILE . 0.4 OUTLIER -96.21 93.16 6.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 17.2 mtt-85 -63.82 118.78 8.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 87' ' ' LEU . 11.6 t -124.96 122.85 64.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -139.6 143.12 37.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.645 HD22 ' HB3' ' A' ' 93' ' ' ALA . 1.7 t30 -45.54 134.92 6.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -72.38 -13.33 61.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.539 1.15 . . . . 0.0 109.354 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.645 ' HB3' HD22 ' A' ' 91' ' ' ASN . . . -91.7 23.06 3.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.05 148.96 30.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.949 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -63.68 -36.34 83.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.263 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.02 -33.49 33.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.582 ' O ' HD12 ' A' ' 101' ' ' LEU . 0.9 OUTLIER -71.91 -19.79 61.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -65.16 -33.16 75.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.68 -40.43 92.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.327 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -71.44 -42.69 67.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 110.331 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.582 HD12 ' O ' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -62.87 -32.83 74.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.1 tptm -48.92 -28.73 4.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.56 -36.84 20.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.987 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.654 HD13 HG12 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -84.94 7.5 20.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.265 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -81.03 66.75 3.72 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 39.8 p -92.27 -46.77 7.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 0.773 . . . . 0.0 110.386 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.34 99.62 0.46 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.453 1.095 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -142.16 154.6 64.71 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 81.23 2.26 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.454 1.765 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 33.2 m -120.5 136.43 57.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.4 pp . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.297 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.4 ' CB ' ' CD ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.4 ' CD ' ' CB ' ' A' ' 8' ' ' ASP . 18.3 Cg_endo -75.07 -162.52 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.472 1.775 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -170.57 89.94 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 38.9 t -70.11 -31.11 46.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.43 -33.74 70.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.424 ' HG2' ' N ' ' A' ' 14' ' ' SER . 3.7 ptt180 -56.34 -36.06 68.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.424 ' N ' ' HG2' ' A' ' 13' ' ' ARG . 0.3 OUTLIER -61.93 -32.66 73.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.989 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.22 -16.69 63.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.593 ' O ' ' HB1' ' A' ' 70' ' ' ALA . 23.7 mtm-85 -93.1 -61.48 1.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.604 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 16.3 m -37.49 115.0 0.37 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.963 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.489 HG12 ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -111.92 125.88 69.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.244 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.66 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 30.3 t80 -81.61 129.7 34.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 111.035 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.98 HG12 HD11 ' A' ' 23' ' ' ILE . 17.1 t -116.84 133.14 64.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.99 -175.44 13.91 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.44 ' O ' ' ND2' ' A' ' 22' ' ' ASN . 0.6 OUTLIER 62.92 22.19 13.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 109.262 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.98 HD11 HG12 ' A' ' 20' ' ' VAL . 3.2 mt -95.47 114.28 63.55 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.457 ' CD ' ' HB3' ' A' ' 83' ' ' SER . 18.2 Cg_endo -74.94 -164.12 0.22 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.46 1.768 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 16.8 m-30 -87.88 -8.13 56.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -88.11 -11.67 46.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.258 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -117.76 96.45 5.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.105 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.792 ' O ' HD22 ' A' ' 32' ' ' LEU . 6.4 p -90.85 174.21 7.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.369 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.503 ' HG3' HD23 ' A' ' 47' ' ' LEU . 66.6 mt-10 -57.75 -30.53 65.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 110.322 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -60.7 -33.91 73.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.332 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -86.83 -45.06 11.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.863 HD21 HG21 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -56.78 -48.64 77.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.898 ' HG3' HG11 ' A' ' 42' ' ' VAL . 1.5 ttpt -61.18 -37.74 84.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.63 -39.48 93.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.816 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 6.8 mt -68.16 -46.28 81.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.47 ' HB3' ' CG2' ' A' ' 42' ' ' VAL . 0.3 OUTLIER -67.52 -29.31 68.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.953 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 52.1 p -62.95 -33.85 76.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 110.049 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.434 ' HA ' ' OE1' ' A' ' 38' ' ' GLU . 2.2 tp10 -70.87 -12.73 61.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.321 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.966 HG21 HD11 ' A' ' 77' ' ' LEU . 20.3 t -104.0 7.06 10.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.449 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 135.02 -174.66 21.04 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 132.64 15.66 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.457 1.767 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.898 HG11 ' HG3' ' A' ' 33' ' ' LYS . 53.4 t -104.58 122.29 57.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.658 HG23 ' HB2' ' A' ' 65' ' ' GLN . 2.4 t -72.13 -59.45 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.78 163.88 34.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.006 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.589 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.7 OUTLIER -152.26 114.82 4.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 111.025 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -125.44 129.6 50.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.343 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.833 HD11 ' CE2' ' A' ' 49' ' ' TYR . 3.9 pp -116.14 177.95 4.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.986 HG21 ' CE2' ' A' ' 59' ' ' TYR . 2.9 m -86.47 121.56 37.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.833 ' CE2' HD11 ' A' ' 47' ' ' LEU . 1.1 m-85 -122.79 119.62 31.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 54' ' ' GLY . 42.5 m-20 -75.76 109.69 9.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.4 mtt-85 -72.42 -28.12 62.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.331 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -68.99 -31.33 70.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.323 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -111.28 -3.14 15.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.417 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 53.15 17.85 5.86 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.568 1.167 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -117.92 146.26 38.6 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.463 0.743 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.58 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 18.0 Cg_endo -75.03 137.42 21.63 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 0.0 110.962 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.852 ' HB2' HG23 ' A' ' 48' ' ' VAL . 2.0 mmtm -53.34 -58.26 7.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 142.53 -17.04 2.45 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.986 ' CE2' HG21 ' A' ' 48' ' ' VAL . 32.9 p90 -125.76 156.61 39.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 0.754 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.479 ' HA3' ' CB ' ' A' ' 47' ' ' LEU . . . -166.04 -170.33 30.82 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.66 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 85.4 m-85 -132.11 137.85 47.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 0.786 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.589 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 11.7 t -116.2 121.62 42.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 108.292 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -100.0 123.35 44.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.669 ' CE1' HG22 ' A' ' 69' ' ' THR . 3.2 m-85 -92.44 -167.62 1.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.658 ' HB2' HG23 ' A' ' 43' ' ' VAL . 2.6 tt0 -108.8 -17.99 13.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.258 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -136.94 132.64 34.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.508 ' HG2' HD12 ' A' ' 71' ' ' LEU . 40.7 tt0 -57.33 -37.44 72.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.77 -38.15 89.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.669 HG22 ' CE1' ' A' ' 64' ' ' TYR . 89.1 m -68.33 -41.41 80.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.35 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.593 ' HB1' ' O ' ' A' ' 16' ' ' ARG . . . -68.0 -39.47 83.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.508 HD12 ' HG2' ' A' ' 67' ' ' GLN . 5.0 mt -69.59 -43.91 71.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 93.2 p -62.79 -38.26 89.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.016 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.928 ' HA ' HG11 ' A' ' 39' ' ' VAL . . . -66.88 -38.34 86.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.647 ' HG2' HG12 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -63.32 -47.06 83.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 111.032 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -77.52 -25.44 50.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 110.304 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -75.94 -35.13 59.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.966 HD11 HG21 ' A' ' 39' ' ' VAL . 8.9 mp -103.46 -92.0 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' A' ' 74' ' ' MET . 2.7 t30 36.34 85.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.344 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 84.98 32.71 20.22 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.41 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 3.4 tpt180 -81.87 120.33 25.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 0.788 . . . . 0.0 110.263 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -61.11 138.44 58.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.816 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 46.7 t80 -178.6 -43.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.457 ' HB3' ' CD ' ' A' ' 24' ' ' PRO . 20.7 m -88.54 19.9 3.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.009 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.52 5.82 89.16 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.472 1.108 . . . . 0.0 111.018 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.677 ' O ' ' HB2' ' A' ' 86' ' ' ALA . 0.1 OUTLIER -139.16 -69.64 0.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 110.34 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.677 ' HB2' ' O ' ' A' ' 85' ' ' ARG . . . 164.76 142.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.57 ' O ' HG23 ' A' ' 89' ' ' VAL . 2.7 mm? -91.41 94.91 9.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.93 99.72 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.158 . . . . 0.0 110.332 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.647 HG12 ' HG2' ' A' ' 74' ' ' MET . 30.5 t -106.47 122.59 60.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.03 154.46 47.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.65 HD22 ' HB3' ' A' ' 93' ' ' ALA . 1.2 t30 -58.51 122.12 12.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.604 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -61.67 -14.03 27.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 109.318 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.65 ' HB3' HD22 ' A' ' 91' ' ' ASN . . . -90.62 23.58 2.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.77 154.51 28.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.01 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -64.46 -36.39 84.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.8 mmtt -81.13 -33.74 33.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.592 ' O ' HD12 ' A' ' 101' ' ' LEU . 72.1 m-20 -72.12 -19.93 61.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.25 -41.9 93.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.093 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -62.64 -35.23 78.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.586 ' OE2' ' CE2' ' A' ' 19' ' ' PHE . 9.8 mt-10 -71.57 -43.22 66.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.326 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.592 HD12 ' O ' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -63.14 -32.84 74.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.72 -28.71 15.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.3 t -85.49 -34.89 21.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.989 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.64 HD13 HG12 ' A' ' 48' ' ' VAL . 1.2 tp -84.87 7.51 20.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -145.26 131.25 4.15 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 106' ' ' THR . 7.2 t -160.53 111.4 1.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 0.787 . . . . 0.0 110.391 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -77.28 164.06 52.31 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.499 1.124 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 64.5 89.85 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.772 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 146.64 32.96 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.503 1.791 . . . . 0.0 111.003 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 72.7 t -133.53 139.25 49.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 6.9 mm . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.513 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 8' ' ' ASP . 18.3 Cg_endo -74.99 -178.08 3.92 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.536 1.808 . . . . 0.0 110.978 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -151.47 59.34 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.9 t -69.96 -32.83 52.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.254 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.06 -34.77 72.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -41.04 98.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.3 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.8 -40.42 95.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.003 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.51 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -69.47 -14.02 62.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.8 mtm-85 -107.78 71.62 0.82 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.503 ' O ' ' CB ' ' A' ' 92' ' ' ALA . 3.3 m 176.31 126.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.015 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.494 HG12 ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -119.07 125.98 74.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.279 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.587 ' CD2' ' OD1' ' A' ' 97' ' ' ASN . 1.7 t80 -79.48 129.44 34.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.559 ' HB ' HD11 ' A' ' 23' ' ' ILE . 2.2 t -115.93 133.31 62.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -134.83 174.54 21.04 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 71.68 23.38 3.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 109.259 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.571 HG12 HD13 ' A' ' 87' ' ' LEU . 3.4 mt -95.13 114.2 63.18 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.469 ' CD ' ' HB3' ' A' ' 83' ' ' SER . 18.4 Cg_endo -75.0 -179.54 5.09 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.473 1.775 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -75.6 -5.07 43.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.56 -9.95 42.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.431 ' HB1' HD11 ' A' ' 32' ' ' LEU . . . -114.44 96.1 5.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.118 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.937 ' O ' HD22 ' A' ' 32' ' ' LEU . 10.3 p -90.63 174.74 7.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.398 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.557 ' HG3' HD11 ' A' ' 47' ' ' LEU . 36.0 mt-10 -57.54 -30.04 64.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 110.334 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -60.76 -33.56 73.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -89.95 -45.16 9.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.937 HD22 ' O ' ' A' ' 28' ' ' THR . 0.2 OUTLIER -57.27 -49.11 77.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.737 ' HG3' HG11 ' A' ' 42' ' ' VAL . 2.8 ttpp -61.76 -37.66 85.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.429 1.081 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.61 -38.54 89.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.966 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 8.0 mt -68.27 -47.22 79.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -68.15 -29.31 68.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.443 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 60.9 p -63.57 -35.19 79.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 109.984 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.406 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 15.0 tp10 -70.83 -12.59 61.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.248 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.704 HG11 ' HA ' ' A' ' 73' ' ' ALA . 1.7 t -104.17 7.17 10.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.443 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 135.03 -177.23 19.49 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 122.82 7.44 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.474 1.776 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.737 HG11 ' HG3' ' A' ' 33' ' ' LYS . 11.1 p -100.93 123.03 53.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.473 ' CG2' ' HB2' ' A' ' 65' ' ' GLN . 30.9 t -72.06 -76.15 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.5 p -134.87 160.93 36.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.983 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.587 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.8 OUTLIER -152.66 115.1 4.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.9 mtt-85 -130.95 140.91 50.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.287 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.744 HD23 ' HA3' ' A' ' 60' ' ' GLY . 0.2 OUTLIER -118.33 176.86 5.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.992 HG12 HD13 ' A' ' 104' ' ' LEU . 3.5 m -87.14 121.57 38.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.53 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 1.0 OUTLIER -124.83 119.24 28.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.579 1.174 . . . . 0.0 110.97 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 54' ' ' GLY . 17.1 m-20 -72.74 109.54 6.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.6 mtt-85 -72.58 -29.71 63.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -70.81 -31.38 68.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.3 p -108.32 -3.32 18.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.371 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 51.32 18.83 3.66 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 3.6 mttt -118.21 145.25 36.62 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.483 0.754 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.53 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . 18.4 Cg_endo -74.96 137.69 22.14 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.483 1.781 . . . . 0.0 111.012 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.881 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -55.99 -57.37 12.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 141.3 -19.73 2.64 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.504 1.128 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.89 ' O ' HG22 ' A' ' 48' ' ' VAL . 41.0 p90 -123.87 156.93 35.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.744 ' HA3' HD23 ' A' ' 47' ' ' LEU . . . -159.47 -174.0 28.65 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.569 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 80.3 m-85 -132.14 139.92 48.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 0.767 . . . . 0.0 111.023 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.587 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 9.7 t -117.83 121.48 40.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 108.295 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -99.92 123.41 44.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 110.275 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.887 ' CE2' HG22 ' A' ' 69' ' ' THR . 2.2 m-30 -94.22 -168.29 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.473 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . 1.0 OUTLIER -114.19 -13.42 12.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -132.97 131.24 40.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.244 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.465 ' CG ' ' HB3' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -60.74 -42.92 98.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 110.325 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -60.0 -37.69 80.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.887 HG22 ' CE2' ' A' ' 64' ' ' TYR . 94.2 m -67.01 -41.84 85.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.415 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.96 -39.41 90.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.257 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.521 ' C ' HD12 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -69.5 -48.39 60.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.422 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 3.4 m -59.98 -37.51 79.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.583 1.177 . . . . 0.0 109.986 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.704 ' HA ' HG11 ' A' ' 39' ' ' VAL . . . -66.7 -38.45 86.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.705 ' HG2' HG12 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -63.58 -47.27 82.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.978 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.76 -25.55 49.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.422 ' CB ' ' O ' ' A' ' 72' ' ' SER . 3.8 m120 -75.9 -35.2 59.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.667 HD11 HG21 ' A' ' 39' ' ' VAL . 4.2 mt -103.62 -91.79 0.36 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.513 ' CB ' ' O ' ' A' ' 74' ' ' MET . 1.3 t-20 37.38 87.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 78.12 37.99 27.33 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.457 1.098 . . . . 0.0 111.034 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.27 120.86 26.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 0.748 . . . . 0.0 110.302 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.81 133.77 55.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.966 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 11.6 t80 -174.61 -43.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.469 ' HB3' ' CD ' ' A' ' 24' ' ' PRO . 14.6 m -88.38 19.11 3.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 109.986 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.63 5.92 86.15 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.532 1.145 . . . . 0.0 110.985 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.551 ' O ' ' HB2' ' A' ' 86' ' ' ALA . 0.2 OUTLIER -142.5 -76.99 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 110.356 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.551 ' HB2' ' O ' ' A' ' 85' ' ' ARG . . . 172.3 141.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 109.307 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.611 ' O ' HG23 ' A' ' 89' ' ' VAL . 1.7 mm? -90.52 94.54 9.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -64.59 100.86 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.705 HG12 ' HG2' ' A' ' 74' ' ' MET . 42.7 t -106.27 122.04 59.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.356 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -139.97 137.56 34.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.706 HD22 ' HB3' ' A' ' 93' ' ' ALA . 2.1 t30 -40.27 135.34 1.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -73.52 -12.5 60.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.706 ' HB3' HD22 ' A' ' 91' ' ' ASN . . . -91.97 25.28 2.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.34 150.1 27.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.007 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -65.74 -36.54 83.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.329 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.66 -33.59 58.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.702 ' O ' HD12 ' A' ' 101' ' ' LEU . 1.9 m-80 -72.12 -19.78 61.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -64.54 -34.25 77.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.083 . . . . 0.0 109.263 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -66.21 -42.29 88.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.147 . . . . 0.0 110.257 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.554 ' HG2' ' CE2' ' A' ' 59' ' ' TYR . 0.7 OUTLIER -71.45 -42.79 67.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.702 HD12 ' O ' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -62.41 -32.84 73.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -54.31 -30.55 51.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.143 . . . . 0.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.1 t -85.72 -35.04 21.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.995 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.992 HD13 HG12 ' A' ' 48' ' ' VAL . 6.5 tp -79.44 0.96 27.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 75.79 129.85 0.29 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.483 1.114 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 8.7 t -92.8 12.0 25.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 0.792 . . . . 0.0 110.422 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -177.2 70.33 0.08 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -114.6 92.19 27.95 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.502 0.766 . . . . 0.0 109.286 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 62.96 6.05 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.439 1.757 . . . . 0.0 110.978 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 12.3 p -124.97 137.27 58.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 6.3 pt . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.579 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.675 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 18.2 Cg_endo -74.99 -89.71 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.463 1.77 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.675 ' HB3' ' O ' ' A' ' 9' ' ' PRO . . . 82.95 -5.57 1.27 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.3 t -86.34 -33.22 7.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -72.87 -45.71 56.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.5 mtt180 -57.23 -39.5 75.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.04 -40.38 93.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.993 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.894 HD13 ' OE1' ' A' ' 67' ' ' GLN . 8.1 mt -72.15 -12.6 61.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.6 mtp180 -115.08 54.57 0.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.584 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 36.2 m -164.3 126.25 2.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.009 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -123.72 125.68 71.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.564 ' CZ ' ' OE1' ' A' ' 100' ' ' GLU . 42.5 t80 -78.01 129.13 34.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.951 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.694 HG12 HD11 ' A' ' 23' ' ' ILE . 2.2 t -119.23 132.96 67.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -140.63 -176.45 15.26 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.499 1.124 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.414 ' HB2' ' NH1' ' A' ' 88' ' ' ARG . 21.9 t-20 58.6 29.4 18.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 0.789 . . . . 0.0 109.275 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.903 HD13 HD21 ' A' ' 32' ' ' LEU . 2.0 mt -99.16 118.89 61.86 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.252 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 173.74 13.99 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.481 1.78 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.524 ' CZ ' ' HD2' ' A' ' 56' ' ' PRO . 3.6 m-30 -73.63 -1.99 21.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -91.41 -9.62 44.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.329 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.573 ' HB1' HD11 ' A' ' 32' ' ' LEU . . . -114.72 98.23 6.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.349 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.542 ' O ' HD13 ' A' ' 32' ' ' LEU . 6.3 p -90.2 174.08 7.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.382 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.591 ' HG3' HD11 ' A' ' 47' ' ' LEU . 22.0 mt-10 -57.88 -30.85 66.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -63.64 -33.25 75.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.562 1.163 . . . . 0.0 110.34 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -86.94 -45.2 11.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.917 ' HA ' HD12 ' A' ' 35' ' ' ILE . 10.8 mp -58.77 -49.36 77.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.79 ' HG3' HG11 ' A' ' 42' ' ' VAL . 4.2 tttt -57.64 -37.76 73.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.402 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 0.5 OUTLIER -66.31 -37.0 84.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.94 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 8.5 mt -68.09 -47.89 76.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -68.89 -29.04 67.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.464 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 68.7 p -63.0 -33.53 75.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 109.998 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.402 ' CG ' ' O ' ' A' ' 34' ' ' ASP . 2.5 mt-10 -65.54 -12.54 53.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.585 1.178 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.962 HG11 ' HA ' ' A' ' 73' ' ' ALA . 4.3 t -103.96 7.26 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.464 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 130.18 -171.3 20.56 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 119.43 5.64 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.546 1.814 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.79 HG11 ' HG3' ' A' ' 33' ' ' LYS . 11.1 p -92.74 122.15 43.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.754 HG12 ' N ' ' A' ' 44' ' ' SER . 2.3 t -66.07 -81.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.754 ' N ' HG12 ' A' ' 43' ' ' VAL . 0.1 OUTLIER -132.55 167.46 19.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 110.004 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' A' ' 62' ' ' CYS . 0.8 OUTLIER -160.76 114.21 2.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -132.84 142.13 48.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.316 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.768 HD23 ' HA3' ' A' ' 60' ' ' GLY . 0.2 OUTLIER -116.72 176.67 5.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.92 HG21 ' CE2' ' A' ' 59' ' ' TYR . 3.7 m -88.2 121.67 38.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 2.5 m-85 -123.81 119.35 29.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 111.053 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 54' ' ' GLY . 3.8 m-20 -74.2 108.19 6.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.4 mtt-85 -73.12 -27.72 61.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.24 -29.69 67.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.244 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.641 HG23 ' CD ' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -111.04 -6.62 14.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.363 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 58.36 17.66 33.02 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.641 ' CD ' HG23 ' A' ' 53' ' ' THR . 0.7 OUTLIER -119.78 145.62 39.83 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.576 0.81 . . . . 0.0 109.26 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.524 ' HD2' ' CZ ' ' A' ' 25' ' ' TYR . 18.3 Cg_endo -74.97 137.84 22.31 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.507 1.793 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.837 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -53.31 -57.49 10.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 141.9 -20.24 2.52 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.504 1.127 . . . . 0.0 110.965 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.92 ' CE2' HG21 ' A' ' 48' ' ' VAL . 32.9 p90 -122.74 156.51 34.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 0.768 . . . . 0.0 111.048 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.768 ' HA3' HD23 ' A' ' 47' ' ' LEU . . . -157.59 -175.04 28.07 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.559 ' CE2' ' HG ' ' A' ' 101' ' ' LEU . 75.6 m-85 -132.2 139.68 48.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 0.784 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.574 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 27.0 t -117.79 123.07 45.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 108.261 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -99.76 125.37 45.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.284 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.467 ' CD2' ' HA ' ' A' ' 70' ' ' ALA . 2.5 m-85 -94.34 -167.09 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.519 ' HB2' HG23 ' A' ' 43' ' ' VAL . 0.1 OUTLIER -112.74 -15.22 13.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -141.48 133.81 28.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.894 ' OE1' HD13 ' A' ' 15' ' ' LEU . 3.8 tt0 -57.39 -37.93 73.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 110.272 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -61.66 -38.59 88.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.3 m -68.1 -41.22 82.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 0.0 110.372 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.467 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . . . -67.89 -38.93 83.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.5 mt -69.22 -46.05 68.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.6 t -62.31 -38.44 89.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.986 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.962 ' HA ' HG11 ' A' ' 39' ' ' VAL . . . -66.26 -38.05 86.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.533 ' O ' ' CB ' ' A' ' 78' ' ' ASN . 5.5 mtp -62.59 -46.45 88.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 111.041 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -77.22 -25.8 52.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -75.66 -35.27 60.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.673 HD21 HG22 ' A' ' 35' ' ' ILE . 7.5 mp -104.75 -91.35 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.533 ' CB ' ' O ' ' A' ' 74' ' ' MET . 1.6 t30 39.59 90.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 69.62 35.43 74.43 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.543 1.152 . . . . 0.0 110.962 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.83 120.86 25.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 0.772 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -53.95 140.63 30.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.341 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.94 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 38.7 t80 -178.27 117.68 0.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 82' ' ' PHE . 0.3 OUTLIER 80.18 13.64 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.986 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 90.65 16.26 55.23 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.561 1.163 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.25 152.86 39.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 0.0 110.267 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -79.36 138.6 37.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.589 HD21 HG23 ' A' ' 23' ' ' ILE . 7.8 mt -95.63 85.5 4.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.414 ' NH1' ' HB2' ' A' ' 22' ' ' ASN . 0.0 OUTLIER -60.23 118.82 6.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 87' ' ' LEU . 78.2 t -125.64 123.49 64.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -139.99 137.12 34.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.457 ' N ' ' SD ' ' A' ' 74' ' ' MET . 0.6 OUTLIER -40.53 122.88 1.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -64.47 -11.88 38.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -90.23 22.81 3.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.6 t -79.7 154.58 28.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.01 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -67.31 -33.03 74.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.122 . . . . 0.0 110.315 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.19 -34.09 32.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.621 ' O ' HD12 ' A' ' 101' ' ' LEU . 86.7 m-20 -72.45 -19.63 61.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 11.2 tttm -64.18 -39.01 93.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -65.36 -38.39 89.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.564 ' OE1' ' CZ ' ' A' ' 19' ' ' PHE . 7.8 mt-10 -71.62 -42.98 66.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.621 HD12 ' O ' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -62.89 -32.95 74.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.9 ttpp -49.82 -28.76 6.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.268 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.58 -36.3 20.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.995 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.742 HD13 HG12 ' A' ' 48' ' ' VAL . 1.5 tp -84.85 7.55 20.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.563 ' O ' ' HB2' ' A' ' 108' ' ' ALA . . . -117.85 -62.63 0.3 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.6 t -45.53 137.42 5.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 0.768 . . . . 0.0 110.406 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 80.91 13.74 80.73 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.562 1.164 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.784 ' HB3' ' HD3' ' A' ' 109' ' ' PRO . . . -68.71 -53.14 16.58 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 0.755 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.784 ' HD3' ' HB3' ' A' ' 108' ' ' ALA . 18.1 Cg_endo -75.05 77.34 3.17 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.495 1.787 . . . . 0.0 110.959 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 27.8 m -127.62 136.45 60.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.3 pt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.269 -179.986 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.547 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.601 ' HD2' HG23 ' A' ' 11' ' ' VAL . 18.2 Cg_endo -74.98 -64.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.507 1.793 . . . . 0.0 110.973 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -128.3 18.8 6.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.359 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.601 HG23 ' HD2' ' A' ' 9' ' ' PRO . 17.8 t -87.19 -33.03 6.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.5 -51.68 68.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.468 ' HE ' ' N ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -57.59 -36.52 71.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 110.316 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.468 ' N ' ' HE ' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -61.05 -40.57 94.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.007 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.431 ' HB3' ' CG ' ' A' ' 67' ' ' GLN . 10.1 mt -69.45 -13.75 62.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.4 mtm-85 -110.04 59.99 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.584 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 25.2 m -170.79 122.6 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.017 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.476 HG23 ' HE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -118.25 125.65 74.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.537 ' CD1' ' OD2' ' A' ' 90' ' ' ASP . 2.8 t80 -79.85 129.29 34.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.936 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.786 HG12 HD11 ' A' ' 23' ' ' ILE . 2.2 t -115.31 133.01 62.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -140.25 -178.19 16.71 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.478 1.111 . . . . 0.0 111.025 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 23.6 t30 56.92 32.13 20.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 0.799 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.961 HD13 HD21 ' A' ' 32' ' ' LEU . 1.3 mt -101.95 122.29 47.73 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 168.49 24.71 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.461 1.769 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.571 ' CE2' ' HD2' ' A' ' 56' ' ' PRO . 3.4 m-85 -69.42 -5.9 26.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.15 -9.62 52.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.648 ' HB3' HG22 ' A' ' 23' ' ' ILE . . . -113.77 98.06 6.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.24 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.525 ' O ' HD13 ' A' ' 32' ' ' LEU . 10.2 p -90.02 174.09 7.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.413 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.774 ' HG3' HD11 ' A' ' 47' ' ' LEU . 19.1 mt-10 -58.03 -30.28 66.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.44 -33.18 74.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.329 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -87.9 -45.51 10.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.963 ' HA ' HD12 ' A' ' 35' ' ' ILE . 11.0 mp -59.19 -49.31 78.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -57.06 -37.92 72.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.9 -41.11 97.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.963 HD12 ' HA ' ' A' ' 32' ' ' LEU . 5.8 mt -65.69 -47.01 87.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.488 ' HZ ' HG22 ' A' ' 20' ' ' VAL . 3.4 m-85 -67.96 -28.37 67.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.535 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -62.15 -32.42 73.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.0 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -62.77 -11.37 17.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.981 HG11 ' HB2' ' A' ' 73' ' ' ALA . 86.7 t -102.39 -10.42 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.535 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 147.13 -171.36 27.84 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.448 1.092 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 121.03 6.33 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.522 1.801 . . . . 0.0 111.037 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.473 ' CG1' ' SG ' ' A' ' 62' ' ' CYS . 2.2 t -86.05 126.44 40.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.459 ' CG2' ' HB2' ' A' ' 65' ' ' GLN . 23.6 t -75.13 -70.87 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 98.7 p -140.02 164.32 30.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.998 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.594 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.7 OUTLIER -158.71 115.31 2.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.995 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.62 135.09 41.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 110.287 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.774 HD11 ' HG3' ' A' ' 29' ' ' GLU . 0.2 OUTLIER -110.86 176.47 5.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.344 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.91 HG23 ' HB2' ' A' ' 57' ' ' LYS . 3.5 m -87.01 121.93 38.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 1.0 OUTLIER -125.85 119.71 28.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 1.013 ' HB3' HG22 ' A' ' 53' ' ' THR . 14.5 m-20 -76.17 110.02 10.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.9 mtp-105 -71.89 -27.34 62.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -68.26 -32.19 72.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.249 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . 1.013 HG22 ' HB3' ' A' ' 50' ' ' ASP . 8.5 t -112.16 -0.71 15.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.355 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 49.41 21.25 2.89 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.483 1.114 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.552 ' H ' HG23 ' A' ' 53' ' ' THR . 2.3 mttt -117.85 146.06 38.07 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.487 0.757 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.571 ' HD2' ' CE2' ' A' ' 25' ' ' TYR . 18.3 Cg_endo -74.96 137.76 22.23 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.517 1.799 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.91 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -56.97 -57.25 13.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 141.98 -19.61 2.52 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.904 ' CE2' HG21 ' A' ' 48' ' ' VAL . 31.0 p90 -124.52 156.63 37.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.773 . . . . 0.0 111.02 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.758 ' HA3' HD23 ' A' ' 47' ' ' LEU . . . -157.95 -175.09 28.48 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.57 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 73.8 m-85 -132.41 140.29 48.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.768 . . . . 0.0 110.954 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.594 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 14.1 t -121.05 124.32 44.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 108.287 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -99.87 123.32 44.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.259 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -93.16 -169.65 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.98 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.459 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . 3.0 tt0 -115.12 -14.63 11.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -129.95 132.18 46.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.351 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.431 ' CG ' ' HB3' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -62.55 -45.61 92.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 110.27 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -59.9 -37.38 79.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 39' ' ' VAL . 53.1 m -65.5 -43.71 89.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.404 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.63 -39.19 93.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.531 ' C ' HD12 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -68.95 -48.5 63.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.428 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 1.4 t -60.03 -37.46 79.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.999 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.981 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -66.69 -38.85 87.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.523 ' O ' ' CB ' ' A' ' 78' ' ' ASN . 3.3 mtp -64.57 -46.5 82.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.949 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -77.68 -25.63 49.63 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.428 ' CB ' ' O ' ' A' ' 72' ' ' SER . 68.7 m-20 -76.19 -36.07 58.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.697 HD21 HG22 ' A' ' 35' ' ' ILE . 9.9 mp -102.08 -91.45 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.523 ' CB ' ' O ' ' A' ' 74' ' ' MET . 1.6 t-20 37.29 89.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 73.24 33.11 59.43 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.92 121.21 26.21 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.459 0.74 . . . . 0.0 110.334 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.4 139.78 52.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.897 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 29.9 t80 -179.07 117.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.455 ' CB ' ' O ' ' A' ' 82' ' ' PHE . 0.2 OUTLIER 82.26 13.31 0.54 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.983 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 90.61 16.2 55.41 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 110.952 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -149.48 153.92 38.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 0.79 . . . . 0.0 110.297 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.49 136.93 34.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.261 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.75 HD23 ' CG1' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -90.28 93.6 9.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.06 102.08 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 87' ' ' LEU . 25.4 t -109.33 122.49 64.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.537 ' OD2' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -139.9 138.88 36.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.455 ' N ' ' SD ' ' A' ' 74' ' ' MET . 0.5 OUTLIER -44.7 125.44 4.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -65.5 -11.8 46.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -91.99 26.54 2.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.9 151.08 30.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.996 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -63.92 -36.83 85.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 110.321 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.35 -33.87 32.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.346 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.619 ' O ' HD12 ' A' ' 101' ' ' LEU . 5.0 m-20 -72.23 -19.9 61.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.41 -39.08 91.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 109.25 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -65.09 -39.16 92.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.292 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.59 -42.75 67.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.619 HD12 ' O ' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -62.91 -32.87 74.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 109.254 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -52.57 -28.56 21.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.5 m -85.49 -36.93 20.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.988 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.852 HD13 HG12 ' A' ' 48' ' ' VAL . 4.3 tp -79.45 -7.54 58.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 101' ' ' LEU . . . -90.91 63.43 2.85 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.434 ' CG2' ' N ' ' A' ' 107' ' ' GLY . 1.9 m -145.37 167.11 23.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 0.786 . . . . 0.0 110.419 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.434 ' N ' ' CG2' ' A' ' 106' ' ' THR . . . -47.01 -72.18 0.44 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.498 1.124 . . . . 0.0 111.034 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 50.69 71.55 1.51 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.512 0.772 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -179.45 5.0 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 0.0 110.983 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 35.8 m -122.57 145.89 28.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.416 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 8.8 t0 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.666 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 18.4 Cg_endo -75.02 -89.46 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.532 1.806 . . . . 0.0 111.047 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.666 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 165.35 100.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.7 t -69.76 -32.79 53.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.43 -34.93 73.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -36.97 83.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.04 -40.17 94.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.004 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.44 -13.73 62.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.127 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.523 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 22.2 mtm-85 -89.37 -65.24 1.04 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.348 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.577 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 2.4 p -34.13 120.34 0.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.971 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.637 HG22 HG13 ' A' ' 89' ' ' VAL . 5.0 p -116.21 123.9 71.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.595 ' CD1' ' OD2' ' A' ' 90' ' ' ASP . 0.6 OUTLIER -77.4 143.85 38.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 111.016 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 1.03 HG12 HD11 ' A' ' 23' ' ' ILE . 59.6 t -134.23 132.95 55.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -141.09 -170.89 12.35 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.528 1.143 . . . . 0.0 111.03 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 54.6 32.86 17.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 0.729 . . . . 0.0 109.271 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 1.03 HD11 HG12 ' A' ' 20' ' ' VAL . 2.8 mt -96.28 127.24 41.02 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.548 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 18.0 Cg_endo -75.04 159.04 41.71 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.498 1.788 . . . . 0.0 111.0 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -63.13 -11.33 19.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.11 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -91.56 -9.73 43.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.548 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . . . -108.88 94.9 5.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.891 ' O ' HD22 ' A' ' 32' ' ' LEU . 14.4 p -90.43 174.48 7.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.425 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.403 ' OE2' ' O ' ' A' ' 45' ' ' PHE . 7.9 mt-10 -57.69 -30.21 65.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 110.336 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -60.51 -33.64 72.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -89.37 -44.89 9.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.891 HD22 ' O ' ' A' ' 28' ' ' THR . 0.1 OUTLIER -56.89 -49.12 76.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.959 ' CG ' HG21 ' A' ' 42' ' ' VAL . 1.6 ttpt -60.98 -38.07 84.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -64.86 -38.69 91.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.794 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 7.6 mt -68.06 -46.98 80.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.746 ' HE2' HG21 ' A' ' 20' ' ' VAL . 1.0 OUTLIER -68.43 -27.22 65.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 111.014 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.437 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 31.3 p -60.75 -40.3 91.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.016 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -70.29 -14.09 62.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.286 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.876 HG21 HD11 ' A' ' 77' ' ' LEU . 3.0 t -105.47 7.24 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.437 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 137.58 163.37 9.64 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.544 1.153 . . . . 0.0 111.068 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 117.85 5.06 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.5 1.789 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.959 HG21 ' CG ' ' A' ' 33' ' ' LYS . 18.1 m -87.29 127.37 40.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.465 ' CG2' ' HG3' ' A' ' 65' ' ' GLN . 69.0 t -72.2 -56.57 9.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.7 167.06 25.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.008 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.71 ' CE1' HD21 ' A' ' 47' ' ' LEU . 0.7 OUTLIER -159.67 118.55 2.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.56 ' C ' HD23 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -136.15 131.04 34.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.324 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.71 HD21 ' CE1' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -109.43 175.42 5.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.037 HG12 HD13 ' A' ' 104' ' ' LEU . 4.2 m -88.18 121.67 38.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 0.9 OUTLIER -126.24 118.94 26.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 54' ' ' GLY . 45.0 m-20 -71.43 109.45 5.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.412 ' NH1' ' HB2' ' A' ' 51' ' ' ARG . 19.5 mtm105 -73.03 -30.38 63.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.307 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -71.24 -31.65 67.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.293 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.9 p -107.7 -3.09 19.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 110.321 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 49.7 20.57 2.87 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.5 1.125 . . . . 0.0 110.962 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -117.93 145.14 36.03 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.445 0.732 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . 18.3 Cg_endo -75.02 137.85 22.21 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.523 1.802 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.9 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.3 OUTLIER -58.47 -57.6 12.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 139.09 -17.77 3.16 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.921 ' CE2' HG21 ' A' ' 48' ' ' VAL . 37.8 p90 -125.67 157.08 38.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.776 . . . . 0.0 111.049 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.645 ' HA3' HD22 ' A' ' 47' ' ' LEU . . . -160.71 -175.99 32.32 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.565 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 70.3 m-85 -131.85 136.93 47.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 0.797 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.577 ' HB2' ' CE1' ' A' ' 45' ' ' PHE . 12.1 t -114.8 124.59 52.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 108.291 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -98.7 122.57 42.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.702 ' CE1' HG22 ' A' ' 69' ' ' THR . 2.3 m-85 -92.13 -166.96 1.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.465 ' HG3' ' CG2' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -111.62 -12.63 13.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.266 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.7 133.07 23.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -56.54 -35.72 68.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -61.21 -37.06 81.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.702 HG22 ' CE1' ' A' ' 64' ' ' TYR . 98.8 m -68.38 -42.88 78.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.376 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 16' ' ' ARG . . . -65.59 -40.01 92.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.252 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.417 HD23 ' HE3' ' A' ' 74' ' ' MET . 6.9 mt -70.51 -46.15 64.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.356 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.8 t -61.45 -38.87 88.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.724 ' HA ' HG11 ' A' ' 39' ' ' VAL . . . -66.56 -38.18 86.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.646 ' CG ' HG12 ' A' ' 89' ' ' VAL . 0.9 OUTLIER -62.92 -46.9 85.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.999 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.78 -24.85 48.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.258 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -74.86 -35.93 62.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.326 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.876 HD11 HG21 ' A' ' 39' ' ' VAL . 9.7 mp -103.71 -93.48 0.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.532 ' CB ' ' O ' ' A' ' 74' ' ' MET . 6.2 t30 32.37 82.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 92.5 33.31 7.61 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -90.84 120.11 31.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 110.269 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 85' ' ' ARG . 5.6 mt-10 -65.9 139.5 58.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.311 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.794 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 39.4 t80 -178.92 121.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 82' ' ' PHE . 2.3 t 84.9 17.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.025 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.26 5.91 86.77 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.4 ' O ' ' HA ' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -126.93 -152.97 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 0.755 . . . . 0.0 110.3 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -130.26 146.63 51.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.251 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.789 HD12 ' HB3' ' A' ' 82' ' ' PHE . 0.2 OUTLIER -107.63 96.1 6.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.434 ' O ' ' HA ' ' A' ' 20' ' ' VAL . 47.1 mtt-85 -81.77 127.55 33.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.646 HG12 ' CG ' ' A' ' 74' ' ' MET . 57.3 t -125.95 130.14 72.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.595 ' OD2' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -140.18 154.45 46.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.341 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.443 ' OD1' ' CE ' ' A' ' 74' ' ' MET . 0.8 OUTLIER -60.58 122.67 15.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -61.78 -14.11 29.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.437 ' HB3' HD22 ' A' ' 91' ' ' ASN . . . -91.33 22.23 4.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.2 t -79.67 150.37 30.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.007 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -67.99 -32.01 72.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.311 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.8 pttt -81.03 -34.5 32.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.738 ' O ' HD12 ' A' ' 101' ' ' LEU . 5.8 m-20 -72.66 -19.71 61.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.25 -32.62 74.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.19 -41.7 85.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -71.59 -43.01 67.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.738 HD12 ' O ' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -62.93 -32.9 74.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 29.2 tttt -55.25 -28.88 56.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.7 m -85.5 -34.35 21.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.977 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 1.037 HD13 HG12 ' A' ' 48' ' ' VAL . 7.0 tp -79.51 1.01 27.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -79.15 -62.24 2.24 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.539 1.149 . . . . 0.0 110.95 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.5 t -95.13 126.1 40.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 110.426 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 172.97 -144.0 7.59 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.531 1.145 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -162.55 160.97 20.24 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 165.79 30.61 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.484 1.781 . . . . 0.0 110.998 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.6 p -137.46 151.46 26.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.9 tt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.435 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 13.2 t0 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.435 ' HD3' ' N ' ' A' ' 8' ' ' ASP . 18.2 Cg_endo -75.04 -162.52 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.487 1.782 . . . . 0.0 110.98 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -145.95 71.02 1.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.441 ' O ' HD23 ' A' ' 15' ' ' LEU . 33.7 t -69.95 -32.88 53.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.36 -42.87 92.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.6 ttt-85 -66.22 -41.11 90.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.91 -32.4 73.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.985 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.457 ' HB3' ' CG ' ' A' ' 67' ' ' GLN . 0.1 OUTLIER -69.1 -18.08 63.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -99.58 50.83 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.239 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.534 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 35.2 m -164.51 123.96 1.92 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.476 HG12 ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -119.84 125.6 74.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.572 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 15.9 t80 -77.78 129.39 35.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.543 HG13 HG22 ' A' ' 89' ' ' VAL . 2.1 t -121.79 132.91 69.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -136.1 -167.84 11.34 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 51.34 30.52 6.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 0.749 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.95 HD13 HD11 ' A' ' 32' ' ' LEU . 1.2 mt -98.06 114.44 65.11 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 176.46 9.88 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.505 1.792 . . . . 0.0 111.055 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.57 ' CE2' ' HD2' ' A' ' 56' ' ' PRO . 3.9 m-85 -73.18 -3.07 24.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 111.019 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -91.53 -9.89 42.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.536 ' HB2' ' HE1' ' A' ' 82' ' ' PHE . . . -116.42 96.69 5.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.2 p -90.55 173.82 7.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.363 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.68 ' HG3' HD11 ' A' ' 47' ' ' LEU . 14.8 mt-10 -57.94 -31.32 66.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -63.77 -33.26 75.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -84.53 -44.72 13.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.95 HD11 HD13 ' A' ' 23' ' ' ILE . 16.4 mt -58.95 -49.21 78.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.886 ' HG3' HG21 ' A' ' 42' ' ' VAL . 2.2 ttpt -57.4 -37.84 73.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.118 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.1 -36.49 82.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.885 HG22 HD21 ' A' ' 77' ' ' LEU . 10.9 mt -67.97 -48.25 75.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.482 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 1.7 m-85 -69.48 -27.94 65.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.502 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -61.86 -33.08 73.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.987 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -69.8 -13.63 62.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.936 HG11 ' HA ' ' A' ' 73' ' ' ALA . 40.2 t -104.87 -1.01 9.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.502 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 138.75 173.22 12.89 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 118.77 5.38 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.474 1.776 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.886 HG21 ' HG3' ' A' ' 33' ' ' LYS . 3.1 m -85.74 148.01 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.775 HG23 ' HB2' ' A' ' 65' ' ' GLN . 2.3 t -83.48 -49.99 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.64 166.76 13.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.963 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.682 ' CE1' ' CD2' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -149.74 117.8 6.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.6 mtm-85 -125.42 131.88 52.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.682 ' CD2' ' CE1' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -117.85 171.24 8.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.975 HG21 ' CZ ' ' A' ' 59' ' ' TYR . 3.1 m -86.32 121.78 37.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.553 ' CE1' ' HB3' ' A' ' 56' ' ' PRO . 0.9 OUTLIER -124.93 118.92 27.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 111.021 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 54' ' ' GLY . 68.5 m-20 -71.08 109.13 4.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.097 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -73.01 -29.89 63.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.288 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -71.02 -32.33 69.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.323 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.6 m -106.72 -4.38 19.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.429 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 53.9 17.5 7.24 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.539 1.149 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.7 mmtm -117.93 145.5 36.88 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.553 0.796 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.57 ' HD2' ' CE2' ' A' ' 25' ' ' TYR . 18.2 Cg_endo -74.95 137.59 22.04 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.492 1.785 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.824 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -53.84 -58.29 7.8 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 140.56 -17.01 2.87 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.452 1.095 . . . . 0.0 111.021 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.975 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 52.1 p90 -125.25 157.77 35.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 0.749 . . . . 0.0 110.973 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -164.67 -173.67 33.56 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.472 1.107 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.578 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 65.8 m-85 -132.2 145.72 51.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 0.778 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.589 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 11.6 t -121.93 124.45 44.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 108.312 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -100.2 127.26 46.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.585 ' CE1' HG22 ' A' ' 69' ' ' THR . 4.4 m-85 -98.54 -173.67 2.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 111.031 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.775 ' HB2' HG23 ' A' ' 43' ' ' VAL . 3.1 tm0? -113.83 -15.21 12.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -130.41 134.13 46.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.457 ' CG ' ' HB3' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -59.29 -47.99 83.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.257 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -60.68 -36.68 79.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.338 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.585 HG22 ' CE1' ' A' ' 64' ' ' TYR . 53.8 m -64.3 -44.56 91.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.402 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.492 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . . . -67.71 -40.44 84.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.7 mt -67.67 -38.6 83.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 36.7 m -65.63 -38.25 88.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.13 . . . . 0.0 109.999 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.936 ' HA ' HG11 ' A' ' 39' ' ' VAL . . . -66.45 -38.72 87.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.613 ' HG2' HG12 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -63.45 -46.74 84.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 111.047 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.66 -25.77 49.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -75.79 -35.2 60.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.335 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.885 HD21 HG22 ' A' ' 35' ' ' ILE . 6.0 mp -104.42 -91.05 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.527 ' CB ' ' O ' ' A' ' 74' ' ' MET . 1.8 t30 39.47 90.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 61.03 40.75 98.94 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.1 131.3 34.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.752 . . . . 0.0 110.326 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.65 132.1 47.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.26 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.608 ' CE2' HD11 ' A' ' 35' ' ' ILE . 2.4 t80 -152.67 -56.52 0.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.107 . . . . 0.0 111.032 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.473 ' N ' ' CD1' ' A' ' 82' ' ' PHE . 5.9 m -85.19 18.0 2.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.068 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 90.19 5.94 69.58 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.7 mtm-85 -129.98 -91.85 0.45 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 0.775 . . . . 0.0 110.315 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -179.21 142.37 0.18 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.681 HD21 HG23 ' A' ' 23' ' ' ILE . 7.9 mt -105.38 93.66 4.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 61.8 mtt85 -62.89 119.77 10.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.316 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 87' ' ' LEU . 24.5 t -125.55 125.93 69.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -139.23 154.55 48.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.435 ' OD1' ' HB3' ' A' ' 93' ' ' ALA . 1.4 t-20 -57.83 129.3 41.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -68.16 -9.58 47.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 109.26 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.435 ' HB3' ' OD1' ' A' ' 91' ' ' ASN . . . -96.89 19.34 12.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.425 ' HB3' ' ND2' ' A' ' 97' ' ' ASN . 5.3 t -79.76 152.31 29.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.022 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -59.92 -37.13 78.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -81.82 -26.58 34.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.78 ' O ' HD12 ' A' ' 101' ' ' LEU . 1.4 m-80 -71.99 -22.57 61.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.6 mttp -68.26 -35.85 78.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.83 -42.57 90.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.26 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.58 -43.01 67.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.334 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.78 HD12 ' O ' ' A' ' 97' ' ' ASN . 0.4 OUTLIER -61.6 -32.88 73.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.1 tttt -54.06 -32.36 54.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.5 m -86.26 -24.14 26.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.998 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.736 ' CD2' HG13 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -78.88 -9.52 59.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 91.84 107.24 1.56 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.412 HG23 ' H ' ' A' ' 106' ' ' THR . 81.9 p -39.64 126.38 1.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 0.781 . . . . 0.0 110.374 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.607 ' O ' ' HB3' ' A' ' 108' ' ' ALA . . . -37.89 122.53 1.1 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.496 1.122 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' A' ' 107' ' ' GLY . . . 77.33 89.56 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 0.771 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 88.2 1.25 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.545 1.813 . . . . 0.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.618 ' O ' HG22 ' A' ' 111' ' ' ILE . 21.5 m -137.47 147.04 26.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.618 HG22 ' O ' ' A' ' 110' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.405 ' OD2' ' O ' ' A' ' 9' ' ' PRO . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.405 ' O ' ' OD2' ' A' ' 8' ' ' ASP . 18.5 Cg_endo -74.99 -162.09 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.475 1.776 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -161.2 86.78 0.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 109.266 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 38.8 t -69.57 -32.91 54.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.99 -35.0 74.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -58.27 -36.33 73.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.62 -40.22 91.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.979 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.541 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -70.24 -13.04 62.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.2 mtm-85 -112.17 75.42 0.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.464 ' HB3' ' CB ' ' A' ' 92' ' ' ALA . 0.1 OUTLIER 175.37 143.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.953 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.577 HG12 ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -125.06 125.93 70.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.521 ' CE1' ' OE2' ' A' ' 100' ' ' GLU . 21.5 t80 -74.72 129.41 37.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.607 ' CG1' HD12 ' A' ' 87' ' ' LEU . 1.8 t -115.37 133.25 62.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -145.52 -179.67 21.96 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.6 t30 61.75 32.09 18.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 0.736 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.906 HD13 HD11 ' A' ' 32' ' ' LEU . 2.2 mt -98.77 140.55 21.85 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.566 ' HD2' HG22 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.03 -162.47 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.556 1.819 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -97.5 -26.69 14.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.12 -9.54 58.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.148 . . . . 0.0 110.351 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.569 ' HB3' HG22 ' A' ' 23' ' ' ILE . . . -102.87 94.02 5.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.2 p -89.81 174.36 7.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 110.379 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.476 ' HG3' HD23 ' A' ' 47' ' ' LEU . 25.2 mt-10 -57.63 -31.57 66.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.82 -33.65 75.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -84.62 -44.41 13.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.066 HD21 HD11 ' A' ' 87' ' ' LEU . 20.1 mt -57.97 -49.53 76.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.951 ' HG3' HG11 ' A' ' 42' ' ' VAL . 1.8 ttpm? -57.27 -38.16 73.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.65 -35.92 81.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.95 HD12 ' HA ' ' A' ' 32' ' ' LEU . 9.1 mt -68.33 -48.41 73.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -68.93 -29.44 67.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 111.035 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.446 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 75.6 p -63.35 -36.74 84.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.985 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -69.66 -12.5 61.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.74 HG11 ' HA ' ' A' ' 73' ' ' ALA . 2.5 t -104.01 7.04 10.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.446 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 139.97 -178.37 19.85 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.503 1.127 . . . . 0.0 110.983 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 121.24 6.46 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.508 1.793 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.951 HG11 ' HG3' ' A' ' 33' ' ' LYS . 24.4 t -92.37 139.07 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.485 ' CG2' ' HB2' ' A' ' 65' ' ' GLN . 47.4 t -94.19 -70.47 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.88 171.76 14.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.0 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.591 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.5 OUTLIER -166.05 114.63 0.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.99 128.68 40.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.832 HD11 ' CE2' ' A' ' 49' ' ' TYR . 4.1 pp -113.68 178.21 4.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.987 HG21 ' CE2' ' A' ' 59' ' ' TYR . 2.8 m -86.9 121.54 37.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.832 ' CE2' HD11 ' A' ' 47' ' ' LEU . 1.1 m-85 -123.45 119.87 31.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.979 ' HB3' HG22 ' A' ' 53' ' ' THR . 3.9 m-20 -77.6 110.12 12.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -71.77 -27.01 62.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -68.07 -31.9 71.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.979 HG22 ' HB3' ' A' ' 50' ' ' ASP . 8.1 t -111.82 -3.08 15.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.414 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 53.48 17.93 6.78 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.453 1.095 . . . . 0.0 110.964 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.604 ' H ' HG23 ' A' ' 53' ' ' THR . 0.3 OUTLIER -117.82 146.42 38.86 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.46 0.741 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.583 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 18.3 Cg_endo -75.01 137.43 21.69 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.498 1.788 . . . . 0.0 110.964 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.864 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -52.86 -58.09 8.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 143.06 -17.27 2.34 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.512 1.132 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.987 ' CE2' HG21 ' A' ' 48' ' ' VAL . 29.4 p90 -125.75 156.51 39.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.76 . . . . 0.0 110.947 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.481 ' HA3' ' CB ' ' A' ' 47' ' ' LEU . . . -165.3 -169.5 29.01 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.498 1.124 . . . . 0.0 111.041 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.553 ' CE2' ' HG ' ' A' ' 101' ' ' LEU . 33.9 m-85 -132.44 137.44 47.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.76 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.591 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 34.1 t -113.69 124.95 53.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 108.281 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -99.13 123.43 43.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.258 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.664 ' CE1' HG22 ' A' ' 69' ' ' THR . 2.0 m-85 -92.61 -167.53 1.77 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.995 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.485 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . 0.3 OUTLIER -113.1 -13.66 13.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 110.33 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -141.12 132.92 27.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -57.38 -38.35 74.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.86 -38.16 89.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.664 HG22 ' CE1' ' A' ' 64' ' ' TYR . 64.1 m -66.74 -41.28 88.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.375 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.424 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . . . -66.49 -39.19 88.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.527 ' C ' HD12 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -69.34 -48.55 61.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.601 1.188 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.418 ' N ' ' HG ' ' A' ' 71' ' ' LEU . 7.5 t -59.95 -38.06 81.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.74 ' HA ' HG11 ' A' ' 39' ' ' VAL . . . -66.39 -38.23 87.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.622 ' HG2' HG12 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -62.6 -46.58 87.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.995 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -77.44 -25.99 51.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -74.98 -35.22 62.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.564 HD11 HG21 ' A' ' 39' ' ' VAL . 1.5 mt -103.17 -91.2 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 74' ' ' MET . 2.5 t30 36.01 87.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 79.95 37.56 21.95 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.22 120.91 28.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.72 137.84 58.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.906 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 58.0 t80 -167.22 134.71 2.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 111.032 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.12 14.42 5.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.024 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 90.56 16.27 55.36 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 82' ' ' PHE . 11.7 mtt180 -140.71 149.0 41.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 0.787 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -79.74 140.79 36.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 1.066 HD11 HD21 ' A' ' 32' ' ' LEU . 2.2 mm? -100.44 96.26 7.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -71.9 103.08 3.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.317 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.622 HG12 ' HG2' ' A' ' 74' ' ' MET . 21.9 t -106.61 122.9 61.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 91' ' ' ASN . 0.0 OUTLIER -139.61 138.66 36.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.457 HD22 ' HB3' ' A' ' 93' ' ' ALA . 1.7 t30 -38.93 120.19 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.464 ' CB ' ' HB3' ' A' ' 17' ' ' SER . . . -59.63 -22.72 62.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.457 ' HB3' HD22 ' A' ' 91' ' ' ASN . . . -91.47 37.87 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.414 ' HB2' ' ND2' ' A' ' 97' ' ' ASN . 0.4 OUTLIER -86.58 153.78 21.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.97 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -63.92 -36.65 84.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.306 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -81.2 -33.63 32.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.108 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.468 ' O ' HD12 ' A' ' 101' ' ' LEU . 63.9 m-20 -72.16 -19.69 61.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.29 -46.04 85.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.352 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.3 -36.93 81.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.521 ' OE2' ' CE1' ' A' ' 19' ' ' PHE . 16.3 tt0 -71.53 -42.04 68.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.268 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.553 ' HG ' ' CE2' ' A' ' 61' ' ' PHE . 0.6 OUTLIER -62.69 -32.79 73.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.56 -29.38 10.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.0 m -85.49 -38.03 19.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.992 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.602 HD13 ' CG1' ' A' ' 48' ' ' VAL . 2.3 tp -79.71 1.2 27.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 106' ' ' THR . . . -90.78 161.8 28.51 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.464 1.102 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 105' ' ' GLY . 82.3 p 44.8 -169.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.757 . . . . 0.0 110.429 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 83.03 -48.44 4.03 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 40.57 81.66 0.24 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.568 0.805 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 169.0 23.59 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.495 1.787 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 11.7 p -120.49 147.94 23.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 8.2 mt . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 163.98 34.3 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.448 1.762 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.65 60.58 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 38.8 t -71.19 -32.79 48.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.36 -34.64 72.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -57.26 -36.84 71.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . 1.007 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 13.3 m -61.4 -32.04 71.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.1 . . . . 0.0 109.954 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.544 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -67.23 -19.81 65.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.454 ' NH2' ' O ' ' A' ' 64' ' ' TYR . 17.4 mtp180 -109.75 -159.11 0.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.503 ' O ' ' CB ' ' A' ' 92' ' ' ALA . 3.5 m 60.54 124.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 110.044 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.448 HG12 ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -123.66 125.33 71.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 109.301 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.562 ' CE2' ' HG3' ' A' ' 100' ' ' GLU . 2.0 t80 -77.6 129.23 35.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.813 HG12 HD11 ' A' ' 23' ' ' ILE . 2.6 t -123.75 132.97 70.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -142.39 -173.72 14.47 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.526 1.141 . . . . 0.0 110.967 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 61.24 24.92 14.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 0.773 . . . . 0.0 109.296 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.813 HD11 HG12 ' A' ' 20' ' ' VAL . 2.4 mt -96.94 114.73 65.1 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 178.86 6.69 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.476 1.777 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -73.9 -5.87 43.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.423 ' CB ' ' OG ' ' A' ' 83' ' ' SER . 1.8 mm-40 -86.02 -9.73 56.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.336 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.513 ' HB3' HG22 ' A' ' 23' ' ' ILE . . . -118.43 99.11 6.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . 1.027 ' O ' HD22 ' A' ' 32' ' ' LEU . 14.7 p -90.95 174.05 7.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.45 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.774 ' OE2' HD21 ' A' ' 47' ' ' LEU . 7.1 mt-10 -58.04 -30.55 66.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.334 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -61.44 -33.35 73.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -89.56 -44.79 9.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.027 HD22 ' O ' ' A' ' 28' ' ' THR . 0.2 OUTLIER -57.63 -49.35 76.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.471 ' HD2' ' CG2' ' A' ' 42' ' ' VAL . 13.3 tttp -61.92 -37.41 84.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.89 -39.58 90.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.664 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 8.5 mt -67.61 -47.55 79.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.526 ' HB3' HG11 ' A' ' 42' ' ' VAL . 3.3 m-85 -68.51 -27.78 66.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.978 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.547 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 52.0 m -62.92 -33.05 74.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.993 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -63.93 -15.85 60.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 0.0 110.273 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.956 HG11 ' CA ' ' A' ' 73' ' ' ALA . 46.7 t -105.34 7.94 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.547 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 127.96 173.2 13.4 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.451 1.094 . . . . 0.0 110.966 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 120.6 6.15 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.519 1.799 . . . . 0.0 111.037 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.625 HG12 ' CE1' ' A' ' 64' ' ' TYR . 2.5 m -85.48 122.49 38.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.566 HG23 ' HB2' ' A' ' 65' ' ' GLN . 2.0 t -56.16 -55.94 15.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.87 153.49 16.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.026 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.571 ' CE2' ' HB2' ' A' ' 62' ' ' CYS . 0.5 OUTLIER -136.29 117.9 14.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 111.015 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.845 ' C ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -121.25 130.56 53.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.323 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.845 HD13 ' C ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -115.77 167.69 10.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.257 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.076 HG21 ' CE2' ' A' ' 59' ' ' TYR . 2.9 m -86.28 121.56 37.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.546 ' HE1' HD23 ' A' ' 47' ' ' LEU . 2.8 m-85 -123.0 120.25 32.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 111.002 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 54' ' ' GLY . 5.3 m-20 -73.65 107.37 5.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -73.48 -25.94 60.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.77 -31.69 71.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.513 ' CG2' ' HB2' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -111.47 -8.82 14.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.405 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 63.13 17.86 59.58 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.528 1.143 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.513 ' HB2' ' CG2' ' A' ' 53' ' ' THR . 0.7 OUTLIER -118.18 146.24 38.88 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.558 0.799 . . . . 0.0 109.283 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . 18.3 Cg_endo -75.03 137.57 21.83 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.783 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.922 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -52.94 -58.74 5.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 141.03 -17.06 2.76 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.12 . . . . 0.0 111.032 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 1.076 ' CE2' HG21 ' A' ' 48' ' ' VAL . 37.0 p90 -125.86 157.06 38.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 0.753 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -161.56 -174.15 31.08 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.515 1.134 . . . . 0.0 111.037 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.574 ' CE2' ' HG ' ' A' ' 101' ' ' LEU . 87.2 m-85 -131.78 138.08 48.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 0.76 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.571 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 24.2 t -112.44 123.88 51.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 108.277 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -99.8 123.26 43.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.625 ' CE1' HG12 ' A' ' 42' ' ' VAL . 18.8 m-85 -101.38 -173.7 2.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.566 ' HB2' HG23 ' A' ' 43' ' ' VAL . 3.2 tp60 -110.7 -29.82 7.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -115.35 131.42 56.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -60.06 -39.95 87.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.332 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.14 -37.54 87.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 39' ' ' VAL . 72.6 m -65.75 -44.95 84.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.427 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.408 ' HB2' ' HB2' ' A' ' 64' ' ' TYR . . . -67.79 -39.4 84.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.48 HD23 ' CE ' ' A' ' 74' ' ' MET . 5.5 mt -67.8 -40.58 83.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.7 t -63.69 -38.63 91.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.956 ' CA ' HG11 ' A' ' 39' ' ' VAL . . . -66.87 -38.16 85.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.614 ' HG2' HG12 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -64.48 -46.08 84.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 110.978 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.41 -26.16 51.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.459 ' C ' HD12 ' A' ' 77' ' ' LEU . 4.0 m-20 -75.8 -36.56 59.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.562 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.4 OUTLIER -101.06 -91.06 0.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 74' ' ' MET . 2.6 t30 37.85 89.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.347 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 69.43 37.15 78.86 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.403 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -81.98 121.09 26.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 0.743 . . . . 0.0 110.269 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.4 137.48 56.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.268 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.664 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 38.1 t80 -178.0 116.42 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 82' ' ' PHE . 3.1 t 84.19 13.25 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.036 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 90.71 16.31 55.03 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -150.14 154.17 37.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 0.793 . . . . 0.0 110.316 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -82.56 138.97 34.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.79 HD13 HG12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -95.33 92.65 6.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.29 120.09 10.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.614 HG12 ' HG2' ' A' ' 74' ' ' MET . 24.9 t -125.66 126.08 69.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.541 ' OD2' ' ND2' ' A' ' 97' ' ' ASN . 0.0 OUTLIER -139.24 154.93 48.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.452 ' N ' ' SD ' ' A' ' 74' ' ' MET . 0.5 OUTLIER -60.33 133.78 56.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -68.0 -14.44 62.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 1.007 ' HB2' ' O ' ' A' ' 14' ' ' SER . . . -87.49 13.5 9.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.1 m -79.02 139.32 38.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.011 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -59.97 -36.66 77.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.335 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.697 ' HG3' HD21 ' A' ' 97' ' ' ASN . 3.5 pttt -74.73 -33.91 62.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.697 HD21 ' HG3' ' A' ' 96' ' ' LYS . 1.1 m-80 -72.55 -19.16 61.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.05 -29.72 71.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.355 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -67.23 -43.77 81.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.531 1.145 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.562 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 11.0 mm-40 -71.82 -42.99 66.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.357 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.624 HD12 ' O ' ' A' ' 97' ' ' ASN . 0.4 OUTLIER -62.1 -32.83 73.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.67 -31.65 7.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.1 t -85.84 -34.71 20.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.028 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.969 HD21 HG13 ' A' ' 48' ' ' VAL . 2.1 mm? -79.39 -4.69 52.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 101' ' ' LEU . . . -69.46 166.37 48.66 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.484 1.115 . . . . 0.0 111.064 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.5 t -38.91 111.96 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 110.455 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -123.39 -112.61 2.06 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.544 1.153 . . . . 0.0 111.03 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -136.65 156.03 76.44 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.545 0.791 . . . . 0.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -88.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.466 1.772 . . . . 0.0 110.96 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.6 p -122.89 151.47 27.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.335 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.623 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 4.0 t0 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.724 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 18.2 Cg_endo -74.98 -68.69 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.493 1.786 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.724 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 160.56 -26.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.5 t -76.05 -30.64 20.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.42 -34.37 70.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.505 ' C ' ' CD ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -56.94 -35.6 69.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.262 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.432 ' N ' ' HG3' ' A' ' 13' ' ' ARG . 74.3 m -61.31 -40.41 94.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.027 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.586 ' N ' HD22 ' A' ' 15' ' ' LEU . 1.6 mm? -69.41 -14.56 62.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -107.36 69.03 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.297 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.445 ' HB3' ' CB ' ' A' ' 92' ' ' ALA . 10.4 m -177.23 134.53 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.004 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -123.17 125.41 71.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.707 ' CD1' ' CZ ' ' A' ' 61' ' ' PHE . 14.5 t80 -80.12 129.12 34.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.972 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.931 HG13 HD11 ' A' ' 23' ' ' ILE . 0.3 OUTLIER -116.09 132.97 64.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.5 ' O ' ' CB ' ' A' ' 22' ' ' ASN . . . -156.77 160.02 30.0 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 21' ' ' GLY . 26.3 t30 81.51 36.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 0.748 . . . . 0.0 109.328 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.94 HG23 ' CD2' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -113.05 146.01 34.28 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.836 ' HD2' HG22 ' A' ' 23' ' ' ILE . 18.5 Cg_endo -75.0 -162.49 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.781 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -98.6 -24.9 14.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 111.007 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.31 -9.31 46.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.552 ' HB1' HD11 ' A' ' 32' ' ' LEU . . . -107.79 96.93 6.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.54 ' O ' HD13 ' A' ' 32' ' ' LEU . 4.6 p -89.91 174.36 7.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.401 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.407 ' OE1' ' O ' ' A' ' 45' ' ' PHE . 8.4 mt-10 -57.7 -30.75 65.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.04 -33.18 75.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.34 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -87.14 -45.14 10.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.826 ' HA ' HD12 ' A' ' 35' ' ' ILE . 11.0 mp -59.09 -49.08 79.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.882 ' HG3' HG11 ' A' ' 42' ' ' VAL . 1.9 tttt -58.0 -37.5 74.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.83 -36.79 80.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.927 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 9.6 mt -68.26 -47.89 76.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.449 ' CE2' ' HB3' ' A' ' 62' ' ' CYS . 3.9 m-85 -68.83 -33.08 73.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.537 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 69.0 m -64.8 -32.88 74.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 110.018 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.441 ' HG2' HG23 ' A' ' 39' ' ' VAL . 2.0 pt-20 -64.46 -13.2 50.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.948 HG11 ' HA ' ' A' ' 73' ' ' ALA . 7.8 t -104.98 7.12 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.537 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 141.77 -177.31 21.4 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.493 1.121 . . . . 0.0 111.059 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 116.31 4.55 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.529 1.805 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.882 HG11 ' HG3' ' A' ' 33' ' ' LYS . 3.3 t -85.94 122.34 38.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.466 ' CG2' ' HB2' ' A' ' 65' ' ' GLN . 16.6 t -77.68 -74.78 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.24 164.84 21.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 110.006 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.584 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.5 OUTLIER -165.36 113.83 1.01 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.992 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.491 ' C ' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -132.92 135.5 45.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.567 ' CD2' ' CE1' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -112.15 171.16 7.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.852 HG12 HD13 ' A' ' 104' ' ' LEU . 3.5 m -86.43 129.48 38.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.513 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 1.3 m-85 -129.6 119.72 24.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 54' ' ' GLY . 1.7 m-20 -71.04 108.44 4.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.418 ' HB3' ' NH1' ' A' ' 51' ' ' ARG . 14.5 mtp-105 -73.72 -30.5 62.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -71.45 -32.42 68.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.5 m -105.79 -4.28 21.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 110.43 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 54.22 17.45 7.91 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 3.9 mmtt -117.78 145.42 36.51 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.521 0.777 . . . . 0.0 109.263 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . 18.2 Cg_endo -74.98 137.74 22.17 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.446 1.761 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.845 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -53.73 -57.22 11.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.557 1.16 . . . . 0.0 109.273 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 138.49 -19.45 3.19 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.535 1.147 . . . . 0.0 111.022 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.776 ' O ' HG22 ' A' ' 48' ' ' VAL . 1.9 p90 -123.04 159.22 28.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.769 . . . . 0.0 110.947 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.464 ' CA ' ' HA ' ' A' ' 47' ' ' LEU . . . -158.83 -171.61 24.87 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.707 ' CZ ' ' CD1' ' A' ' 19' ' ' PHE . 84.0 m-85 -132.2 141.92 49.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 0.795 . . . . 0.0 111.014 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.584 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 36.5 t -124.35 121.33 34.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 108.28 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.427 ' HA ' ' HA ' ' A' ' 17' ' ' SER . 4.7 tt0 -100.2 123.32 44.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.466 ' CD2' ' HA ' ' A' ' 70' ' ' ALA . 18.4 m-85 -93.4 -170.41 2.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.466 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . 4.4 tt0 -113.2 -15.51 12.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.96 131.61 47.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.638 ' OE1' HD12 ' A' ' 71' ' ' LEU . 2.2 tm0? -62.32 -44.78 95.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.322 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -59.68 -37.52 79.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.5 m -67.19 -41.21 86.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.411 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.466 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . . . -67.76 -39.79 84.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.638 HD12 ' OE1' ' A' ' 67' ' ' GLN . 6.5 mt -69.2 -44.29 72.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.419 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 8.7 t -63.05 -37.68 88.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.013 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.948 ' HA ' HG11 ' A' ' 39' ' ' VAL . . . -66.89 -37.87 85.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.239 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.694 ' HG2' HG12 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -63.23 -47.29 83.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -78.19 -26.26 47.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.419 ' CB ' ' O ' ' A' ' 72' ' ' SER . 5.2 m120 -76.94 -32.15 57.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.6 HD12 ' O ' ' A' ' 73' ' ' ALA . 1.9 mt -105.02 -90.82 0.4 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 74' ' ' MET . 2.1 t-20 37.06 88.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 75.76 38.81 35.73 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.524 1.14 . . . . 0.0 110.949 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.95 120.66 25.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -61.04 135.1 57.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.323 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.927 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 34.6 t80 -171.41 118.59 0.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 111.037 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 82' ' ' PHE . 0.1 OUTLIER 78.76 14.58 1.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.992 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 90.6 16.35 55.15 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.512 1.133 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.3 mtt180 -145.35 153.03 40.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 0.74 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.1 138.65 31.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.94 ' CD2' HG23 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -91.69 91.01 7.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.436 ' CB ' ' O ' ' A' ' 21' ' ' GLY . 2.0 ttt180 -62.46 100.7 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 87' ' ' LEU . 24.2 t -106.48 122.85 60.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 91' ' ' ASN . 0.0 OUTLIER -140.04 139.23 35.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.525 HD22 ' HB3' ' A' ' 93' ' ' ALA . 1.9 t30 -39.06 130.17 1.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.445 ' CB ' ' HB3' ' A' ' 17' ' ' SER . . . -66.45 -21.68 66.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.525 ' HB3' HD22 ' A' ' 91' ' ' ASN . . . -89.35 41.3 1.03 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.24 150.44 20.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.978 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -36.55 84.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -81.22 -33.63 32.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.28 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.682 ' O ' HD12 ' A' ' 101' ' ' LEU . 2.7 m120 -72.19 -21.83 61.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.28 -35.68 81.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -66.57 -39.52 88.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.506 ' HG2' ' CZ ' ' A' ' 59' ' ' TYR . 0.4 OUTLIER -71.64 -43.74 65.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.284 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.682 HD12 ' O ' ' A' ' 97' ' ' ASN . 0.4 OUTLIER -62.67 -32.87 74.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.4 tptm -56.19 -30.1 61.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.1 m -85.74 -34.14 21.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 110.007 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.852 HD13 HG12 ' A' ' 48' ' ' VAL . 6.2 tp -79.45 0.56 28.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -91.68 63.63 2.56 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.3 t -166.94 158.62 12.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 0.767 . . . . 0.0 110.405 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.655 ' O ' ' HB2' ' A' ' 108' ' ' ALA . . . -157.68 167.14 34.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.527 1.142 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.796 ' HB3' ' HD3' ' A' ' 109' ' ' PRO . . . 165.05 -53.13 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.505 0.767 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.796 ' HD3' ' HB3' ' A' ' 108' ' ' ALA . 18.2 Cg_endo -75.01 102.29 1.57 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.552 1.817 . . . . 0.0 110.961 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 11.2 p -137.55 148.08 26.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.4 pt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.509 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 8' ' ' ASP . 18.1 Cg_endo -75.01 -81.94 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.502 1.79 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -158.57 62.32 0.43 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.593 ' O ' HD12 ' A' ' 15' ' ' LEU . 29.3 t -70.23 -32.46 50.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.1 -39.64 82.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.435 1.084 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -40.92 89.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.58 ' CB ' ' HB2' ' A' ' 93' ' ' ALA . 0.6 OUTLIER -64.56 -31.9 73.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 110.006 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.593 HD12 ' O ' ' A' ' 11' ' ' VAL . 0.8 OUTLIER -69.42 -16.74 63.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.113 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.596 ' O ' ' HB1' ' A' ' 70' ' ' ALA . 11.5 mtm-85 -95.96 -65.14 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.262 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.695 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 3.0 p -39.2 116.88 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.023 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.541 HG12 ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -111.98 125.05 69.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 109.349 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.404 ' CE1' ' OE1' ' A' ' 100' ' ' GLU . 10.7 t80 -79.36 129.93 34.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.97 HG12 HD11 ' A' ' 23' ' ' ILE . 12.4 t -117.89 132.96 66.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -135.57 -175.67 13.96 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 65.0 t30 60.58 26.71 16.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 109.269 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.998 HD13 HD21 ' A' ' 32' ' ' LEU . 2.0 mt -98.82 118.15 63.37 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 179.65 5.87 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.479 1.779 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -74.53 -11.19 60.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -83.62 -9.7 58.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.33 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.711 ' HB3' HG22 ' A' ' 23' ' ' ILE . . . -110.79 96.06 5.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.1 p -90.13 173.94 7.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.402 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.814 ' CG ' HD11 ' A' ' 47' ' ' LEU . 4.6 mt-10 -57.7 -30.49 65.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 110.317 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -63.1 -32.96 74.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -87.61 -46.19 9.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.998 HD21 HD13 ' A' ' 23' ' ' ILE . 10.0 mp -58.29 -49.72 76.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.84 ' HG3' HG11 ' A' ' 42' ' ' VAL . 4.3 ttmt -58.18 -37.45 74.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.26 -35.63 78.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.919 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 11.1 mt -67.86 -48.67 74.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.671 ' CE2' HG21 ' A' ' 20' ' ' VAL . 0.8 OUTLIER -69.75 -29.74 67.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.993 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.434 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 97.5 p -63.16 -33.03 74.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.963 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.42 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 12.9 tt0 -64.45 -12.38 42.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.941 HG11 ' HA ' ' A' ' 73' ' ' ALA . 2.5 t -103.78 7.43 9.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.434 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 132.11 -171.41 21.43 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 113.46 3.8 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.467 1.772 . . . . 0.0 110.989 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.84 HG11 ' HG3' ' A' ' 33' ' ' LYS . 4.5 p -85.87 122.14 38.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.456 ' CG2' ' C ' ' A' ' 64' ' ' TYR . 84.4 t -65.52 -70.54 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 t -151.83 160.85 43.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.005 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.591 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.7 OUTLIER -142.91 115.98 8.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.701 ' C ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -117.1 134.36 54.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.292 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.814 HD11 ' CG ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -123.17 168.63 12.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.018 HG12 HD13 ' A' ' 104' ' ' LEU . 4.0 m -86.12 121.4 37.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.632 ' CE1' HD23 ' A' ' 47' ' ' LEU . 1.3 m-85 -125.07 119.18 27.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.97 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 54' ' ' GLY . 0.2 OUTLIER -72.16 108.99 5.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.5 mtt85 -73.02 -29.98 63.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.265 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.95 -32.0 68.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.28 -3.27 19.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.384 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 50.96 19.46 3.57 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.456 1.098 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 0.2 OUTLIER -118.01 144.97 35.75 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.509 0.77 . . . . 0.0 109.321 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.555 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 18.3 Cg_endo -74.97 137.6 22.01 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.477 1.778 . . . . 0.0 111.011 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.879 ' HB2' HG23 ' A' ' 48' ' ' VAL . 3.9 mmtt -56.97 -58.27 8.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 137.17 -15.64 3.7 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.536 1.147 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.998 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 52.6 p90 -125.85 158.02 36.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 0.749 . . . . 0.0 111.02 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.408 ' HA3' ' HA ' ' A' ' 47' ' ' LEU . . . -169.12 -170.73 34.07 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.133 . . . . 0.0 110.994 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.572 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 55.2 m-85 -131.96 137.26 47.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 0.781 . . . . 0.0 110.925 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.591 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 7.9 t -113.51 122.34 46.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 108.297 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -99.24 127.85 45.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 110.283 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.459 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 7.3 m-85 -97.36 -169.68 1.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 110.979 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.446 ' N ' HG23 ' A' ' 43' ' ' VAL . 9.1 tt0 -105.88 -20.03 13.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -135.83 132.68 36.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -57.2 -37.5 72.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.311 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -38.12 89.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.1 m -68.05 -41.79 81.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.411 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.596 ' HB1' ' O ' ' A' ' 16' ' ' ARG . . . -68.06 -39.43 82.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 mt -69.25 -43.59 73.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.143 . . . . 0.0 109.317 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.9 m -63.13 -38.39 90.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.043 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.941 ' HA ' HG11 ' A' ' 39' ' ' VAL . . . -66.66 -38.14 86.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.712 ' HG2' HG12 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -62.98 -47.1 84.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 111.018 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 45.0 ttt-85 -77.72 -25.38 49.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -76.83 -32.92 57.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.332 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.687 HD11 HG21 ' A' ' 39' ' ' VAL . 6.8 mp -106.41 -92.54 0.39 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.525 ' CB ' ' O ' ' A' ' 74' ' ' MET . 2.4 t30 37.35 86.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.82 35.73 24.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.442 1.089 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.595 HH21 HG23 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -87.4 121.09 29.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 0.79 . . . . 0.0 110.316 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.24 140.7 55.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.919 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 40.1 t80 -170.72 120.04 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.75 15.46 4.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.157 . . . . 0.0 110.01 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 90.63 16.28 55.23 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.474 1.108 . . . . 0.0 110.988 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 82' ' ' PHE . 2.7 mmp_? -141.33 149.39 41.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 0.756 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.39 136.09 34.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.804 HD23 ' CG1' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -92.09 91.67 7.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.13 98.95 0.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.338 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.712 HG12 ' HG2' ' A' ' 74' ' ' MET . 46.0 t -106.87 120.89 58.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.45 ' N ' ' OD1' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -141.8 154.17 45.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.439 HD22 ' HB3' ' A' ' 93' ' ' ALA . 0.8 OUTLIER -45.91 117.77 1.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.695 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -62.66 -13.49 32.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.58 ' HB2' ' CB ' ' A' ' 14' ' ' SER . . . -98.91 36.44 1.69 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.68 154.97 28.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.975 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -67.94 -36.62 80.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -77.45 -33.74 54.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.784 ' OD1' HD12 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -69.74 -16.33 63.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -30.37 68.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 109.31 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.69 -39.46 73.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.404 ' OE1' ' CE1' ' A' ' 19' ' ' PHE . 7.1 mt-10 -72.34 -44.09 63.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.784 HD12 ' OD1' ' A' ' 97' ' ' ASN . 3.2 mt -61.24 -37.98 84.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -44.84 -30.99 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.83 -36.47 20.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.953 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 1.018 HD13 HG12 ' A' ' 48' ' ' VAL . 2.4 tp -84.46 7.6 19.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 101' ' ' LEU . . . -40.69 118.95 1.28 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.483 1.115 . . . . 0.0 110.963 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 67.0 p 38.72 -96.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 0.787 . . . . 0.0 110.426 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 105' ' ' GLY . . . 83.81 -164.48 41.11 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.482 1.113 . . . . 0.0 110.975 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -176.45 88.57 0.27 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.548 0.793 . . . . 0.0 109.283 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 139.74 24.61 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.513 1.796 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 11.8 p -120.49 138.95 49.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.1 pt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.498 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 8' ' ' ASP . 18.2 Cg_endo -75.01 -161.46 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.488 1.783 . . . . 0.0 110.97 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.39 49.27 1.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.48 ' CG2' ' HG2' ' A' ' 9' ' ' PRO . 47.7 t -73.21 -32.97 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.74 -34.99 69.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 -57.45 -36.95 72.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.282 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.32 -34.17 74.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 110.012 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.47 ' HB3' ' CG ' ' A' ' 67' ' ' GLN . 0.2 OUTLIER -69.34 -15.99 63.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.544 ' O ' ' HB1' ' A' ' 70' ' ' ALA . 30.0 mtp180 -100.86 -66.1 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.525 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 19.5 m -36.56 114.67 0.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.981 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.434 ' HB ' ' CG1' ' A' ' 89' ' ' VAL . 0.0 OUTLIER -111.04 124.96 68.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.482 ' CE1' ' HB2' ' A' ' 59' ' ' TYR . 26.5 t80 -75.9 129.07 36.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 111.029 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.756 HG12 HD11 ' A' ' 23' ' ' ILE . 2.2 t -113.57 133.26 60.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -137.73 -176.08 14.25 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.55 1.156 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 31.1 t30 63.02 21.74 13.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 0.0 109.271 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.756 HD11 HG12 ' A' ' 20' ' ' VAL . 3.3 mt -95.48 114.43 63.88 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 109.343 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 175.55 11.08 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.492 1.785 . . . . 0.0 110.95 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -72.48 -3.1 22.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.961 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -91.54 -9.71 43.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.454 ' HB1' HD11 ' A' ' 32' ' ' LEU . . . -119.13 100.25 7.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.974 ' O ' HD22 ' A' ' 32' ' ' LEU . 10.4 p -90.53 174.28 7.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.167 . . . . 0.0 110.411 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.724 ' HG3' HD11 ' A' ' 47' ' ' LEU . 2.9 mt-10 -57.97 -29.93 65.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -60.5 -33.64 72.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -90.25 -45.15 9.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.974 HD22 ' O ' ' A' ' 28' ' ' THR . 0.2 OUTLIER -56.98 -48.86 77.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.866 ' HG3' HG11 ' A' ' 42' ' ' VAL . 3.1 ttpm? -61.29 -37.83 84.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -64.99 -39.98 94.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.929 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 6.6 mt -68.16 -46.34 81.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.594 ' CE1' HD13 ' A' ' 77' ' ' LEU . 3.6 m-85 -67.4 -29.25 68.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.568 ' HA ' HG23 ' A' ' 42' ' ' VAL . 52.8 p -63.24 -38.15 90.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.027 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -64.75 -12.31 45.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.917 HG11 ' HA ' ' A' ' 73' ' ' ALA . 2.0 t -103.77 7.52 9.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.454 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 136.58 -177.78 19.38 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 122.9 7.52 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.792 . . . . 0.0 110.999 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.866 HG11 ' HG3' ' A' ' 33' ' ' LYS . 50.0 t -89.53 122.44 40.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.7 HG11 ' OE2' ' A' ' 63' ' ' GLU . 3.1 t -80.04 -68.71 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.437 1.086 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.418 ' N ' HG12 ' A' ' 43' ' ' VAL . 0.1 OUTLIER -135.42 169.81 16.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.972 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.589 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.6 OUTLIER -171.07 113.63 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.9 mmt85 -130.84 134.0 46.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 110.256 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.724 HD11 ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -110.61 167.34 10.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.038 HG12 HD13 ' A' ' 104' ' ' LEU . 3.7 m -86.48 121.41 37.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.57 ' HE2' HD13 ' A' ' 47' ' ' LEU . 1.2 m-85 -123.45 119.12 29.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 111.049 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 54' ' ' GLY . 73.8 m-20 -70.88 108.65 4.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 -73.22 -29.85 63.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.286 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -70.92 -32.18 69.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.36 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.467 HG22 ' CD ' ' A' ' 55' ' ' LYS . 5.3 m -106.76 -4.51 19.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.413 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 54.53 17.07 7.89 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.467 ' CD ' HG22 ' A' ' 53' ' ' THR . 4.3 mttp -118.0 145.44 36.82 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.531 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . 18.4 Cg_endo -75.02 137.73 22.05 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.466 1.772 . . . . 0.0 111.03 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.861 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -54.29 -57.65 10.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 139.17 -16.82 3.19 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.473 1.108 . . . . 0.0 111.044 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.949 ' CE2' HG21 ' A' ' 48' ' ' VAL . 40.8 p90 -125.54 156.95 38.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.567 0.804 . . . . 0.0 110.98 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -158.02 -171.08 23.5 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.451 1.095 . . . . 0.0 111.03 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.577 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 96.5 m-85 -132.48 137.91 47.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 0.0 111.014 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.589 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 38.7 t -118.77 120.51 37.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 108.308 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.7 ' OE2' HG11 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -100.29 123.36 44.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.767 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 32.1 m-85 -98.33 -170.53 1.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 111.03 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.411 ' CG ' ' N ' ' A' ' 66' ' ' ASP . 9.9 pt20 -100.54 -43.18 6.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.411 ' N ' ' CG ' ' A' ' 65' ' ' GLN . 0.2 OUTLIER -101.82 140.1 36.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.47 ' CG ' ' HB3' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -64.86 -48.15 75.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -60.92 -37.17 81.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 87.4 m -66.64 -42.35 86.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.434 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.767 ' HB2' ' HB2' ' A' ' 64' ' ' TYR . . . -68.14 -39.7 82.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.603 HD23 ' CE ' ' A' ' 74' ' ' MET . 0.3 OUTLIER -69.61 -40.95 76.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.429 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 24.0 p -67.77 -37.94 82.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.994 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.923 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -66.72 -37.34 84.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.603 ' CE ' HD23 ' A' ' 71' ' ' LEU . 0.3 OUTLIER -66.36 -46.79 75.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.442 ' N ' ' HG2' ' A' ' 74' ' ' MET . 0.0 OUTLIER -76.75 -27.02 55.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.3 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.429 ' CB ' ' O ' ' A' ' 72' ' ' SER . 6.3 m120 -77.34 -35.75 54.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.923 HD12 ' O ' ' A' ' 73' ' ' ALA . 1.2 mt -86.19 -40.82 15.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.57 1.169 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 78' ' ' ASN . 1.3 t30 -53.97 90.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . 115.25 23.06 4.64 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.469 1.105 . . . . 0.0 110.996 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -106.12 120.46 41.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 0.796 . . . . 0.0 110.283 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -71.05 138.61 49.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.929 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 39.8 t80 -170.22 149.95 3.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 52.92 21.77 2.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.98 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.42 16.05 78.76 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.461 1.101 . . . . 0.0 111.005 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 22.0 mtt180 -145.68 152.73 40.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 0.752 . . . . 0.0 110.314 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.55 149.48 44.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.41 ' O ' ' O ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -109.04 99.27 8.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.334 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 20.5 mtp180 -88.61 122.78 32.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.558 HG21 ' HB2' ' A' ' 77' ' ' LEU . 6.5 t -125.63 127.91 71.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -139.04 146.6 41.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.726 HD22 ' HB3' ' A' ' 93' ' ' ALA . 1.4 t30 -42.0 128.83 3.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -70.06 -8.12 46.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.726 ' HB3' HD22 ' A' ' 91' ' ' ASN . . . -92.31 26.97 2.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.422 ' HB2' ' ND2' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -79.87 152.02 29.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.025 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.436 ' CA ' ' OE1' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -59.98 -36.66 77.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.351 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.25 -33.48 32.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.838 ' O ' HD12 ' A' ' 101' ' ' LEU . 78.8 m-20 -72.0 -19.79 61.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.74 -46.18 72.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -62.0 -35.74 79.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.547 ' HG2' ' CE2' ' A' ' 59' ' ' TYR . 1.2 tp10 -71.56 -42.65 67.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.838 HD12 ' O ' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -62.8 -32.95 74.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.3 mttp -51.74 -29.05 17.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.5 t -85.58 -38.15 18.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.979 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 1.038 HD13 HG12 ' A' ' 48' ' ' VAL . 2.8 tp -79.42 -3.49 46.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 101' ' ' LEU . . . -47.97 169.95 0.07 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.509 1.13 . . . . 0.0 111.033 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 10.1 t -100.92 160.67 14.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 0.747 . . . . 0.0 110.433 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 173.23 -93.51 0.1 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.534 1.146 . . . . 0.0 111.046 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -141.78 68.74 24.46 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -45.76 0.27 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.517 1.798 . . . . 0.0 110.982 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.7 p -128.72 142.65 43.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 16.7 pt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.954 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.564 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.564 ' HD3' ' CB ' ' A' ' 8' ' ' ASP . 18.3 Cg_endo -75.03 88.5 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.462 1.77 . . . . 0.0 110.979 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.03 5.55 32.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.631 ' O ' HD12 ' A' ' 15' ' ' LEU . 38.8 t -70.98 -31.8 46.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.494 ' CG ' ' N ' ' A' ' 13' ' ' ARG . 1.5 p30 -65.52 -52.9 49.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.494 ' N ' ' CG ' ' A' ' 12' ' ' ASP . 5.8 mtp180 -58.34 -36.75 73.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.508 ' HB3' ' HB2' ' A' ' 93' ' ' ALA . 0.6 OUTLIER -61.75 -40.64 95.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.985 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.734 HD13 ' NE2' ' A' ' 67' ' ' GLN . 2.2 mt -70.21 -13.1 62.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.0 mtm-85 -105.11 49.33 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.254 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.577 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 12.2 p -168.4 120.57 0.82 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.985 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.545 HG12 ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -116.14 125.8 73.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.557 ' CZ ' ' OE1' ' A' ' 100' ' ' GLU . 30.7 t80 -79.19 129.13 34.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.807 HG12 HD11 ' A' ' 23' ' ' ILE . 2.1 t -116.45 133.0 64.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -146.16 -174.83 18.67 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.463 ' O ' ' CD ' ' A' ' 85' ' ' ARG . 2.0 t-20 59.84 29.42 18.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 0.748 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.807 HD11 HG12 ' A' ' 20' ' ' VAL . 1.6 mt -101.52 141.4 22.52 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.631 ' HD2' HG22 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.01 -162.56 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.495 1.787 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -93.92 -32.44 13.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 111.033 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.32 -9.59 48.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.272 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.683 ' HB3' HG22 ' A' ' 23' ' ' ILE . . . -100.8 91.71 4.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.4 p -90.11 174.15 7.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.364 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.46 ' HG3' ' CD2' ' A' ' 47' ' ' LEU . 20.5 mt-10 -57.84 -31.07 66.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.281 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.45 -33.63 75.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -83.87 -44.68 14.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.934 ' HA ' HD12 ' A' ' 35' ' ' ILE . 17.6 mt -58.25 -49.04 78.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.848 ' HG3' HG11 ' A' ' 42' ' ' VAL . 9.4 tttt -58.05 -37.95 75.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.89 -35.8 80.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.934 HD12 ' HA ' ' A' ' 32' ' ' LEU . 9.8 mt -68.12 -48.38 74.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.424 ' HD1' ' HH ' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -69.21 -29.5 67.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 111.036 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.45 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 76.9 p -63.0 -37.14 85.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.995 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.405 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 13.1 tp10 -71.09 -12.65 61.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.726 HG11 ' HA ' ' A' ' 73' ' ' ALA . 2.1 t -104.43 7.11 10.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.45 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 135.0 -177.32 19.41 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.491 1.12 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.437 ' HD2' HG21 ' A' ' 69' ' ' THR . 18.3 Cg_endo -75.0 122.89 7.49 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.446 1.761 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.848 HG11 ' HG3' ' A' ' 33' ' ' LYS . 12.9 p -101.21 122.52 53.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.484 ' CG2' ' HB2' ' A' ' 65' ' ' GLN . 46.5 t -67.86 -72.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.99 164.19 30.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.984 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.591 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.6 OUTLIER -151.55 114.28 4.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 111.022 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -124.66 133.19 53.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.823 HD11 ' CE2' ' A' ' 49' ' ' TYR . 4.4 pp -120.27 177.74 4.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.985 HG21 ' CE2' ' A' ' 59' ' ' TYR . 2.7 m -86.41 121.62 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.823 ' CE2' HD11 ' A' ' 47' ' ' LEU . 1.2 m-85 -123.28 119.76 31.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 54' ' ' GLY . 1.9 m-20 -74.1 109.24 7.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.4 mtt85 -72.46 -29.14 63.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -70.51 -32.14 69.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.345 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.2 m -107.54 -4.54 18.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.419 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 54.33 16.92 7.27 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.514 1.133 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 11.7 mmtt -118.12 146.22 38.75 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.749 . . . . 0.0 109.361 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.576 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 18.3 Cg_endo -75.0 137.39 21.66 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.473 1.775 . . . . 0.0 110.94 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.824 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -52.54 -58.16 7.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 141.81 -17.65 2.59 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.546 1.154 . . . . 0.0 111.038 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.985 ' CE2' HG21 ' A' ' 48' ' ' VAL . 33.4 p90 -125.68 156.68 38.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 0.736 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.482 ' HA3' ' CB ' ' A' ' 47' ' ' LEU . . . -165.94 -170.28 30.66 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.512 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 81.2 m-85 -132.37 138.24 47.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 0.755 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.591 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 13.0 t -116.15 122.6 45.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 108.337 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.426 ' OE2' HG11 ' A' ' 43' ' ' VAL . 3.4 tm-20 -99.47 126.11 45.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.655 ' CE1' HG22 ' A' ' 69' ' ' THR . 3.3 m-85 -96.51 -172.54 2.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.484 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -112.81 -18.7 12.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.266 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.24 134.07 53.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.734 ' NE2' HD13 ' A' ' 15' ' ' LEU . 3.9 mt-30 -64.28 -37.52 87.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -68.95 -37.39 78.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.655 HG22 ' CE1' ' A' ' 64' ' ' TYR . 97.4 m -66.66 -40.52 88.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.421 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.72 -40.62 84.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.5 mt -69.97 -41.87 73.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.4 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 6.3 t -64.83 -38.02 89.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.975 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.726 ' HA ' HG11 ' A' ' 39' ' ' VAL . . . -66.49 -38.86 88.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.727 ' HG2' HG12 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -63.13 -47.28 83.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 111.001 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -77.8 -25.19 48.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.4 ' CB ' ' O ' ' A' ' 72' ' ' SER . 2.9 m120 -74.91 -35.64 62.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.695 HD11 HG21 ' A' ' 39' ' ' VAL . 1.4 mt -104.06 -91.86 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.529 ' CB ' ' O ' ' A' ' 74' ' ' MET . 1.4 t-20 35.8 86.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.35 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 83.21 34.74 19.87 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.54 120.63 27.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 110.332 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.425 ' HA ' ' O ' ' A' ' 85' ' ' ARG . 5.7 mt-10 -58.53 143.1 47.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.643 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 4.5 t80 178.74 130.01 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 71.09 24.08 4.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.004 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.37 5.69 89.12 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.463 ' CD ' ' O ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER -123.83 -158.71 0.82 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 0.759 . . . . 0.0 110.277 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -126.93 143.44 51.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.268 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.862 HD11 ' CD2' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -97.31 86.9 4.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.403 ' O ' ' HA ' ' A' ' 20' ' ' VAL . 7.3 ttt180 -70.45 97.42 1.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.727 HG12 ' HG2' ' A' ' 74' ' ' MET . 42.5 t -105.05 122.5 58.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.442 ' N ' ' OD1' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -140.17 137.28 34.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.714 HD22 ' HB3' ' A' ' 93' ' ' ALA . 1.4 t30 -39.98 126.04 2.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -66.95 -10.42 49.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.714 ' HB3' HD22 ' A' ' 91' ' ' ASN . . . -91.62 25.28 2.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.87 149.59 30.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.995 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.1 -35.82 82.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.0 -33.89 33.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.772 ' O ' HD12 ' A' ' 101' ' ' LEU . 20.4 m-20 -72.33 -20.11 61.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 7.2 ttpt -64.34 -40.08 95.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.95 -35.5 80.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.261 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.557 ' OE1' ' CZ ' ' A' ' 19' ' ' PHE . 3.5 mt-10 -71.69 -43.34 66.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.772 HD12 ' O ' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -63.25 -32.47 73.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.21 -28.34 40.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.0 m -85.4 -36.21 20.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.978 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.631 HD13 ' CG1' ' A' ' 48' ' ' VAL . 2.8 tp -80.18 -9.15 59.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 101' ' ' LEU . . . 38.07 91.56 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.434 HG23 ' O ' ' A' ' 106' ' ' THR . 1.8 t -38.94 96.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 0.77 . . . . 0.0 110.437 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.688 ' O ' ' HB3' ' A' ' 108' ' ' ALA . . . 117.42 -169.31 13.13 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.485 1.116 . . . . 0.0 110.969 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' A' ' 107' ' ' GLY . . . 83.31 75.63 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.487 0.757 . . . . 0.0 109.353 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 148.14 35.02 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.524 1.802 . . . . 0.0 110.982 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.7 p -137.55 148.15 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.453 ' C ' HD13 ' A' ' 111' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.36 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.528 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.595 ' HG2' HG23 ' A' ' 11' ' ' VAL . 18.3 Cg_endo -75.03 -80.04 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.575 1.829 . . . . 0.0 111.014 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -161.22 28.6 0.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.653 HG12 ' CD1' ' A' ' 15' ' ' LEU . 44.7 t -83.87 -32.89 8.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -64.85 -51.2 63.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.67 -40.48 88.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 110.301 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.5 m -59.38 -42.8 92.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.974 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.653 ' CD1' HG12 ' A' ' 11' ' ' VAL . 10.2 mt -78.3 -10.89 59.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.502 ' O ' ' CB ' ' A' ' 17' ' ' SER . 5.9 ttm180 -98.39 79.47 2.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.323 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' A' ' 92' ' ' ALA . 1.6 m 159.76 124.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.022 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.637 HG12 ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -117.08 124.93 73.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.596 ' CD1' ' OD2' ' A' ' 90' ' ' ASP . 2.1 t80 -78.62 129.87 35.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.846 HG12 HD11 ' A' ' 23' ' ' ILE . 5.1 t -114.09 132.68 62.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -132.68 -177.25 14.81 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.464 1.102 . . . . 0.0 110.983 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 60.13 26.88 16.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 0.749 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 1.009 HD13 HD11 ' A' ' 32' ' ' LEU . 1.9 mt -99.09 114.39 65.48 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.465 ' CD ' ' HB3' ' A' ' 83' ' ' SER . 18.4 Cg_endo -74.95 178.5 7.17 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.541 1.811 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -73.41 -3.68 28.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.76 -9.86 42.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.618 ' HB3' HG22 ' A' ' 23' ' ' ILE . . . -114.97 96.39 5.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.9 p -90.57 174.43 7.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.417 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.797 ' HG3' HD11 ' A' ' 47' ' ' LEU . 47.8 mt-10 -57.85 -30.5 65.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -33.49 75.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 110.302 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -86.85 -45.71 10.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.319 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.009 HD11 HD13 ' A' ' 23' ' ' ILE . 19.2 mt -58.15 -49.36 77.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.86 -37.86 74.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.21 -37.37 87.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.953 HD12 ' HA ' ' A' ' 32' ' ' LEU . 7.2 mt -68.26 -47.69 76.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.303 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.516 ' CD1' ' OH ' ' A' ' 64' ' ' TYR . 0.3 OUTLIER -68.79 -28.21 66.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.153 . . . . 0.0 111.011 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.473 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 55.6 p -62.33 -36.12 81.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.985 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 9.3 tp10 -71.23 -13.12 61.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 110.304 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.742 HG11 ' HA ' ' A' ' 73' ' ' ALA . 1.5 t -105.0 7.32 10.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.473 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 133.83 -178.2 18.5 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.507 1.129 . . . . 0.0 110.961 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.42 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 18.3 Cg_endo -75.04 130.69 13.47 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.457 1.767 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.458 ' CG1' ' SG ' ' A' ' 62' ' ' CYS . 6.1 t -104.15 130.72 54.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.687 HG11 ' OE2' ' A' ' 63' ' ' GLU . 77.4 t -81.53 -75.99 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.453 ' N ' ' OE1' ' A' ' 63' ' ' GLU . 0.1 OUTLIER -132.62 168.94 17.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.986 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.595 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.7 OUTLIER -162.26 114.19 1.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.8 137.62 50.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.326 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.797 HD11 ' HG3' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -116.56 176.2 5.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.021 HG13 HD21 ' A' ' 104' ' ' LEU . 2.5 m -86.37 121.8 37.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.333 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 1.3 m-85 -123.84 120.02 31.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 54' ' ' GLY . 17.2 m-20 -74.14 109.4 7.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.7 mtp85 -72.7 -29.97 63.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.137 . . . . 0.0 110.361 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.86 -28.68 64.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.324 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.9 p -111.04 -3.17 15.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 110.392 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 51.57 18.82 4.06 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -117.99 145.88 37.81 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.513 0.773 . . . . 0.0 109.248 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . 18.3 Cg_endo -75.04 137.56 21.79 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.524 1.802 . . . . 0.0 111.035 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.861 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -54.41 -58.17 8.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 142.32 -24.43 2.36 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.868 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 52.7 p90 -120.47 156.89 30.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 0.747 . . . . 0.0 111.01 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.606 ' HA3' HD23 ' A' ' 47' ' ' LEU . . . -159.19 -169.54 22.65 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.521 1.138 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.576 ' CE2' ' HG ' ' A' ' 101' ' ' LEU . 76.0 m-85 -132.4 137.59 47.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 0.788 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.595 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 19.4 t -113.23 117.91 33.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.154 . . . . 0.0 108.259 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.687 ' OE2' HG11 ' A' ' 43' ' ' VAL . 0.2 OUTLIER -98.59 132.04 44.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.335 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.516 ' OH ' ' CD1' ' A' ' 36' ' ' PHE . 12.4 m-85 -107.14 -177.74 3.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 111.047 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.488 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -99.85 -12.95 19.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.338 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -135.83 130.58 34.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -60.53 -40.7 92.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.273 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.456 ' HA ' HD23 ' A' ' 71' ' ' LEU . 8.0 tt0 -59.83 -38.09 81.05 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.468 HG22 ' CE2' ' A' ' 64' ' ' TYR . 93.2 m -66.86 -43.45 83.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 110.427 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.78 -39.37 90.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.526 ' C ' HD12 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -68.22 -48.07 66.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.411 ' N ' ' HG ' ' A' ' 71' ' ' LEU . 3.8 t -59.68 -37.28 78.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.977 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.742 ' HA ' HG11 ' A' ' 39' ' ' VAL . . . -66.14 -38.35 87.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.637 ' HG3' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -62.85 -47.14 84.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 111.02 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 23.8 ttt-85 -77.66 -25.72 49.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -77.22 -31.76 55.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.598 HD11 HG21 ' A' ' 39' ' ' VAL . 2.7 mt -106.45 -92.19 0.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 74' ' ' MET . 1.6 t-20 37.72 83.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.18 38.52 12.88 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.474 1.109 . . . . 0.0 111.039 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.89 121.04 27.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 0.753 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.56 136.13 57.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 110.256 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.786 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 14.8 t80 -176.79 -43.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 110.985 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.465 ' HB3' ' CD ' ' A' ' 24' ' ' PRO . 20.5 m -88.64 19.99 3.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.985 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.59 5.89 89.18 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.502 1.126 . . . . 0.0 111.015 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.673 ' O ' ' HB2' ' A' ' 86' ' ' ALA . 3.0 mtt180 -139.53 -69.22 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 0.735 . . . . 0.0 110.306 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.673 ' HB2' ' O ' ' A' ' 85' ' ' ARG . . . 164.66 143.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.712 ' O ' HG23 ' A' ' 89' ' ' VAL . 8.5 mt -93.79 93.59 8.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.96 101.46 0.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.572 1.17 . . . . 0.0 110.356 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 87' ' ' LEU . 4.4 t -106.31 126.13 61.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.596 ' OD2' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -138.4 155.38 48.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -63.81 128.91 37.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -61.23 -14.91 29.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -89.7 20.98 3.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.5 145.14 33.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.004 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 96' ' ' LYS . 10.2 pt-20 -59.85 -36.63 77.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.344 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.4 ' N ' ' HG3' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -79.64 -33.78 41.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.097 . . . . 0.0 109.28 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.672 ' O ' HD12 ' A' ' 101' ' ' LEU . 3.0 m120 -72.37 -19.45 61.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.254 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -63.72 -45.89 87.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -61.43 -37.01 81.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.431 ' OE1' ' CE1' ' A' ' 59' ' ' TYR . 11.6 mm-40 -71.72 -42.15 67.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.672 HD12 ' O ' ' A' ' 97' ' ' ASN . 0.4 OUTLIER -62.28 -32.83 73.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.35 -29.61 24.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.63 -29.63 23.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.017 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 1.021 HD21 HG13 ' A' ' 48' ' ' VAL . 3.9 mm? -79.28 0.72 27.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -54.32 -172.73 0.07 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.466 1.104 . . . . 0.0 110.992 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.5 m -70.52 152.38 44.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 0.788 . . . . 0.0 110.393 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 132.13 135.67 3.72 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -173.59 81.11 0.39 Allowed Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.55 0.794 . . . . 0.0 109.322 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 152.95 41.42 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.507 1.793 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.2 p -137.51 148.31 25.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 5.4 pt . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 0.0 109.272 179.993 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.468 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 28.9 t70 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.468 ' HD3' ' N ' ' A' ' 8' ' ' ASP . 18.2 Cg_endo -75.05 -89.47 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.522 1.801 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -175.84 92.04 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 49.1 t -72.59 -30.4 33.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 0.0 109.316 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.36 -34.15 70.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.525 ' C ' ' CD ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -61.82 -35.22 77.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.316 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.465 ' N ' ' HG3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -62.85 -33.59 75.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.511 HD22 ' NE2' ' A' ' 67' ' ' GLN . 0.4 OUTLIER -69.85 -14.47 62.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.481 ' O ' ' HB1' ' A' ' 70' ' ' ALA . 26.1 mtp180 -95.41 -67.25 0.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.606 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 60.8 m -37.0 118.54 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.056 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.492 HG12 ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -111.72 125.68 69.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.414 ' HB3' ' ND2' ' A' ' 97' ' ' ASN . 3.0 t80 -78.06 129.81 35.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.933 HG22 HD11 ' A' ' 23' ' ' ILE . 0.6 OUTLIER -116.2 133.41 62.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -157.86 176.33 34.95 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.547 1.155 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.44 ' O ' ' ND2' ' A' ' 22' ' ' ASN . 4.8 t30 72.82 22.67 3.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 0.776 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.961 HD13 HD21 ' A' ' 32' ' ' LEU . 2.0 mt -101.88 140.96 21.64 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.59 ' HD2' HG22 ' A' ' 23' ' ' ILE . 18.4 Cg_endo -74.98 -162.32 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.462 1.769 . . . . 0.0 111.018 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -96.01 -5.73 40.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.16 -9.63 44.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.892 ' HB3' HG22 ' A' ' 23' ' ' ILE . . . -110.3 96.1 6.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.507 ' O ' HD13 ' A' ' 32' ' ' LEU . 15.2 p -90.38 173.75 7.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 110.401 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.506 ' HG3' HD23 ' A' ' 47' ' ' LEU . 8.0 mt-10 -58.11 -31.3 67.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.133 . . . . 0.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.68 -33.86 74.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.276 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.451 ' HB3' ' CZ ' ' A' ' 82' ' ' PHE . 5.9 mt-30 -83.89 -44.79 13.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.977 ' HA ' HD12 ' A' ' 35' ' ' ILE . 5.8 mp -58.04 -49.15 77.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.962 ' HG3' HG21 ' A' ' 42' ' ' VAL . 1.6 ttpt -56.4 -38.27 71.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.94 -37.85 87.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.977 HD12 ' HA ' ' A' ' 32' ' ' LEU . 7.1 mt -68.02 -47.69 77.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -68.28 -27.88 66.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.536 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -61.76 -33.03 73.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.06 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -67.93 -12.16 60.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.925 HG11 ' HA ' ' A' ' 73' ' ' ALA . 37.1 t -103.82 -10.98 9.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.536 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 149.66 176.55 22.93 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.448 1.093 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 118.3 5.21 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.783 . . . . 0.0 110.948 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.962 HG21 ' HG3' ' A' ' 33' ' ' LYS . 33.5 m -85.67 122.35 38.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.612 HG23 ' HB2' ' A' ' 65' ' ' GLN . 3.0 t -63.26 -68.83 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.415 ' N ' HG12 ' A' ' 43' ' ' VAL . 1.5 m -135.77 166.24 23.75 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.443 1.089 . . . . 0.0 110.022 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.451 ' CZ ' ' HB2' ' A' ' 62' ' ' CYS . 0.7 OUTLIER -161.95 112.95 1.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 110.952 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.44 ' CA ' ' OE2' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -132.48 128.18 36.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.287 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.877 HD11 ' CD2' ' A' ' 49' ' ' TYR . 0.5 OUTLIER -108.5 177.49 4.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.267 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.912 HG21 ' CE2' ' A' ' 59' ' ' TYR . 3.4 m -88.44 121.62 38.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.877 ' CD2' HD11 ' A' ' 47' ' ' LEU . 1.0 OUTLIER -120.58 119.63 33.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.953 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 54' ' ' GLY . 1.5 m-20 -75.77 109.75 9.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.12 -27.94 62.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.122 . . . . 0.0 110.318 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.75 -32.03 70.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.461 HG22 ' CD ' ' A' ' 55' ' ' LYS . 3.2 m -109.27 -5.4 15.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.087 . . . . 0.0 110.415 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 56.17 14.5 8.53 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.461 ' CD ' HG22 ' A' ' 53' ' ' THR . 3.2 mttp -118.81 145.52 37.96 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.495 0.762 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.578 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 18.3 Cg_endo -75.01 137.87 22.26 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.46 1.768 . . . . 0.0 110.976 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.783 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -52.04 -56.12 16.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.252 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 142.35 -13.84 2.52 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.127 . . . . 0.0 110.969 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.912 ' CE2' HG21 ' A' ' 48' ' ' VAL . 1.6 p90 -125.56 159.37 32.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.761 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.471 ' CA ' ' HA ' ' A' ' 47' ' ' LEU . . . -163.45 -170.25 28.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.573 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 92.5 m-85 -132.34 137.59 47.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 110.994 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.451 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 34.9 t -121.2 122.11 39.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 108.319 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -100.52 123.53 44.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.503 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 9.3 m-85 -91.14 -175.29 4.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.612 ' HB2' HG23 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -106.74 -15.84 14.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.44 134.27 43.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.511 ' NE2' HD22 ' A' ' 15' ' ' LEU . 2.2 mt-30 -58.89 -46.57 87.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.28 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -59.91 -37.03 78.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.342 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.459 HG22 ' CE1' ' A' ' 64' ' ' TYR . 85.2 m -66.5 -42.24 87.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.352 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.503 ' HB2' ' HB2' ' A' ' 64' ' ' TYR . . . -67.91 -40.17 83.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.505 HD23 ' HE3' ' A' ' 74' ' ' MET . 3.7 mt -69.27 -40.55 77.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.427 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 93.6 p -64.23 -38.59 91.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.011 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.925 ' HA ' HG11 ' A' ' 39' ' ' VAL . . . -67.05 -38.5 85.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.616 ' HG2' HG12 ' A' ' 89' ' ' VAL . 0.5 OUTLIER -62.3 -48.03 81.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.59 -26.24 50.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 72' ' ' SER . 20.4 m-20 -78.22 -20.67 51.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.63 ' O ' ' C ' ' A' ' 78' ' ' ASN . 27.2 mt -113.54 -91.95 0.49 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.63 ' C ' ' O ' ' A' ' 77' ' ' LEU . 22.1 p-10 19.71 87.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 97.11 22.57 17.01 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.516 1.135 . . . . 0.0 111.041 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -84.3 119.78 25.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 0.724 . . . . 0.0 110.326 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -64.46 140.49 58.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.34 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.727 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 30.4 t80 -176.42 144.66 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.586 ' OG ' ' HB2' ' A' ' 27' ' ' ALA . 4.0 m 57.79 17.08 3.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.987 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 83.98 16.18 68.16 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 -146.99 152.96 39.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.771 . . . . 0.0 110.33 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.45 143.52 46.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 109.339 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.5 HD21 HG23 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -100.49 96.95 7.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -73.5 117.2 14.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.616 HG12 ' HG2' ' A' ' 74' ' ' MET . 62.1 t -125.53 122.24 62.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.425 1.078 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.71 154.07 46.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.635 HD22 ' HB3' ' A' ' 93' ' ' ALA . 1.0 OUTLIER -47.61 121.28 3.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.33 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.606 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -63.81 -12.12 33.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.635 ' HB3' HD22 ' A' ' 91' ' ' ASN . . . -90.93 24.06 2.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.428 ' HB2' ' ND2' ' A' ' 97' ' ' ASN . 2.9 m -79.78 153.77 28.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 109.993 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -67.59 -33.35 74.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.327 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.19 -33.81 32.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.638 ' O ' HD12 ' A' ' 101' ' ' LEU . 88.4 m-20 -72.31 -19.85 61.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -64.25 -37.35 87.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.425 ' N ' ' HG3' ' A' ' 98' ' ' LYS . 8.8 mt-10 -63.36 -35.25 79.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.253 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.595 ' OE2' ' CE2' ' A' ' 59' ' ' TYR . 4.2 mm-40 -71.71 -43.25 66.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.638 HD12 ' O ' ' A' ' 97' ' ' ASN . 0.4 OUTLIER -62.9 -33.17 74.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -50.6 -28.91 9.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.55 -33.07 21.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.002 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.768 HD13 HG12 ' A' ' 48' ' ' VAL . 2.1 tp -89.61 7.46 36.35 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.157 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 101' ' ' LEU . . . -65.44 -62.52 4.78 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 5.9 t -110.63 138.18 47.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.0 110.378 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -140.58 -177.56 16.2 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.472 1.107 . . . . 0.0 110.995 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -157.81 156.49 28.49 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 109.321 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 156.18 43.17 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.508 1.794 . . . . 0.0 111.026 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 10.7 p -137.52 143.57 33.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 10.8 mt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.983 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.3 t70 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -56.21 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.521 1.8 . . . . 0.0 110.976 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.624 ' HB1' ' HB2' ' A' ' 13' ' ' ARG . . . -176.17 86.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.5 t -69.98 -32.91 53.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.24 -34.75 76.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.258 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.624 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -57.31 -36.76 71.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.346 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.28 -40.43 94.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.962 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.446 HD23 ' HG2' ' A' ' 67' ' ' GLN . 6.7 mp -69.58 -13.31 62.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.483 ' O ' ' CG ' ' A' ' 63' ' ' GLU . 13.5 mtm-85 -106.09 40.07 1.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.547 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 1.2 p -154.27 130.91 10.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.0 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.765 HG11 ' HB3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -125.57 125.62 68.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.418 ' HB3' ' ND2' ' A' ' 97' ' ' ASN . 2.4 t80 -78.43 131.36 36.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 111.038 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.816 HG12 HD11 ' A' ' 23' ' ' ILE . 2.1 t -119.14 137.85 51.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -146.02 -177.66 20.87 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.48 1.113 . . . . 0.0 111.02 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 61.6 24.43 14.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.816 HD11 HG12 ' A' ' 20' ' ' VAL . 3.4 mt -95.45 114.45 63.92 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 178.73 6.88 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.515 1.797 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -74.9 -1.84 24.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 111.026 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.59 -9.97 42.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.312 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.44 ' HB1' HD11 ' A' ' 32' ' ' LEU . . . -124.96 100.26 6.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.937 ' O ' HD22 ' A' ' 32' ' ' LEU . 5.4 p -91.85 174.33 7.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.1 . . . . 0.0 110.401 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.555 ' HG3' HD11 ' A' ' 47' ' ' LEU . 1.7 mt-10 -57.79 -30.36 65.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.04 -33.64 73.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.333 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -89.4 -44.86 9.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.937 HD22 ' O ' ' A' ' 28' ' ' THR . 0.2 OUTLIER -57.13 -49.0 77.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.906 ' HG3' HG11 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -61.48 -37.75 84.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -65.36 -38.95 91.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.911 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 7.6 mt -68.1 -46.74 80.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 1.024 ' CE1' HD22 ' A' ' 77' ' ' LEU . 14.7 m-85 -67.76 -29.13 68.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.457 ' HA ' HG23 ' A' ' 42' ' ' VAL . 53.9 p -63.21 -33.16 74.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.005 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.41 -12.67 61.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.315 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.967 HG11 ' HA ' ' A' ' 73' ' ' ALA . 2.2 t -103.92 7.08 10.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.252 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.457 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 137.8 -178.22 19.31 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 119.67 5.73 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.484 1.781 . . . . 0.0 111.016 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.906 HG11 ' HG3' ' A' ' 33' ' ' LYS . 71.3 t -88.18 122.38 39.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.596 HG12 ' N ' ' A' ' 44' ' ' SER . 2.8 t -71.74 -77.55 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.596 ' N ' HG12 ' A' ' 43' ' ' VAL . 0.4 OUTLIER -132.33 176.66 8.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.962 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.581 ' CE1' HD21 ' A' ' 47' ' ' LEU . 0.8 OUTLIER -171.13 120.92 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.441 ' C ' HD23 ' A' ' 47' ' ' LEU . 18.4 mmt180 -138.1 135.44 35.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.28 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.581 HD21 ' CE1' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -113.29 176.89 4.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.262 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.048 HG21 ' CE2' ' A' ' 59' ' ' TYR . 3.5 m -90.7 121.44 41.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.528 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 1.2 m-85 -123.81 119.82 30.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 54' ' ' GLY . 13.3 m-20 -72.08 109.21 5.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.464 ' CZ ' ' HB2' ' A' ' 51' ' ' ARG . 28.7 mtm105 -73.05 -29.68 63.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.257 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -70.51 -30.84 67.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.328 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.4 p -109.56 -3.15 17.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.418 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 50.72 19.69 3.48 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -118.1 145.13 36.22 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.566 0.804 . . . . 0.0 109.307 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.528 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . 18.3 Cg_endo -75.0 137.63 21.98 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.512 1.796 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.875 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -57.91 -58.25 9.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 138.9 -15.73 3.29 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.506 1.129 . . . . 0.0 111.028 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 1.048 ' CE2' HG21 ' A' ' 48' ' ' VAL . 33.0 p90 -126.01 156.73 39.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 0.736 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.424 ' HA3' HD22 ' A' ' 47' ' ' LEU . . . -164.2 -174.16 33.67 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.699 ' CE1' HD23 ' A' ' 104' ' ' LEU . 30.2 m-85 -132.35 135.6 46.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 0.768 . . . . 0.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.539 ' HB2' ' CE1' ' A' ' 45' ' ' PHE . 12.2 t -106.94 152.7 23.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 108.304 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.483 ' CG ' ' O ' ' A' ' 16' ' ' ARG . 0.8 OUTLIER -119.73 123.35 43.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.262 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.533 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 4.0 m-85 -102.26 -173.78 2.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.477 ' HB2' HG23 ' A' ' 43' ' ' VAL . 9.0 tm0? -113.07 -23.39 10.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.328 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.433 ' HB2' ' CB ' ' A' ' 69' ' ' THR . 0.2 OUTLIER -124.54 134.32 53.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.634 HE21 ' C ' ' A' ' 67' ' ' GLN . 0.0 OUTLIER -61.35 -46.27 90.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -62.54 -37.94 88.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.433 ' CB ' ' HB2' ' A' ' 66' ' ' ASP . 92.2 m -66.55 -42.2 87.51 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.115 . . . . 0.0 110.39 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.533 ' HB2' ' HB2' ' A' ' 64' ' ' TYR . . . -69.22 -39.32 78.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.639 HD23 ' CE ' ' A' ' 74' ' ' MET . 0.5 OUTLIER -69.89 -36.97 75.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.456 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 6.9 m -71.61 -41.76 68.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.014 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.967 ' HA ' HG11 ' A' ' 39' ' ' VAL . . . -68.33 -46.61 69.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.765 ' HB3' HG11 ' A' ' 18' ' ' VAL . 5.3 ptt? -67.07 -41.08 87.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.958 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.492 ' N ' ' CG ' ' A' ' 74' ' ' MET . 23.1 ttt85 -73.73 -31.2 63.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.259 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.456 ' CB ' ' O ' ' A' ' 72' ' ' SER . 41.5 m-20 -78.27 -36.74 46.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 1.024 HD22 ' CE1' ' A' ' 36' ' ' PHE . 8.5 mp -86.47 -25.91 24.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.525 ' CB ' ' O ' ' A' ' 74' ' ' MET . 1.7 t30 -57.27 88.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . 109.02 4.17 31.38 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.526 1.141 . . . . 0.0 110.957 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.0 125.41 30.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 0.0 110.249 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.28 140.27 40.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.911 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 39.1 t80 -165.03 151.38 10.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.463 ' OG ' ' CE1' ' A' ' 82' ' ' PHE . 15.4 m 53.8 24.15 4.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.015 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.38 6.05 89.47 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.4 -162.63 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.77 . . . . 0.0 110.327 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -116.93 154.6 30.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.59 HD22 HD23 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -110.13 98.2 7.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.251 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.34 89.67 7.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.282 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.502 HG21 ' CB ' ' A' ' 77' ' ' LEU . 2.0 t -106.39 124.25 61.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -140.3 140.55 35.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.439 ' O ' ' ND2' ' A' ' 97' ' ' ASN . 0.6 OUTLIER -38.71 126.96 1.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.337 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -68.99 -8.52 45.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.244 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.429 ' HB3' ' OD1' ' A' ' 91' ' ' ASN . . . -91.01 23.34 3.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.2 t -79.77 148.02 31.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.009 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -65.4 -32.61 74.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.142 . . . . 0.0 110.281 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 6.4 ptmt -81.12 -33.56 33.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.641 ' O ' HD12 ' A' ' 101' ' ' LEU . 83.1 m-20 -72.06 -19.59 61.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.457 ' HE2' ' CA ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -64.3 -40.45 95.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.361 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.457 ' CA ' ' HE2' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -61.55 -43.59 98.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.305 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -71.66 -35.94 70.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.258 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.641 HD12 ' O ' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -61.9 -36.34 81.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.94 -29.96 0.92 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.81 -37.93 18.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.112 . . . . 0.0 109.972 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 1.015 HD21 HG13 ' A' ' 48' ' ' VAL . 1.6 mm? -79.27 0.59 28.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.475 ' O ' ' C ' ' A' ' 106' ' ' THR . . . -104.77 153.54 17.42 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.64 HG23 ' O ' ' A' ' 106' ' ' THR . 10.0 t 32.91 89.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 0.753 . . . . 0.0 110.393 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 156.15 122.83 0.77 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.51 1.132 . . . . 0.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -170.23 82.08 0.59 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.474 0.75 . . . . 0.0 109.284 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 162.28 37.36 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.513 1.796 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.4 p -137.15 148.36 26.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.584 ' C ' HD13 ' A' ' 111' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.462 ' CB ' ' CD ' ' A' ' 9' ' ' PRO . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.667 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 18.3 Cg_endo -74.98 -50.03 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.532 1.806 . . . . 0.0 111.025 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.667 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 163.71 83.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 33.8 t -83.41 -32.91 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.564 ' HA ' HD12 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -64.74 -34.7 78.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.405 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 24.5 ttm180 -57.12 -36.74 71.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.911 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 0.5 OUTLIER -61.2 -36.85 81.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.012 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.966 HD22 ' NE2' ' A' ' 67' ' ' GLN . 1.0 OUTLIER -68.33 -17.91 64.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.485 ' O ' ' O ' ' A' ' 17' ' ' SER . 1.0 OUTLIER -99.35 -159.74 0.76 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.268 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.529 ' O ' ' CB ' ' A' ' 92' ' ' ALA . 1.1 p 56.1 119.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.968 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.521 HG12 ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -123.8 124.94 70.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.585 ' CD1' ' OD2' ' A' ' 90' ' ' ASP . 5.0 t80 -73.65 129.41 37.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.507 HG21 ' CZ ' ' A' ' 45' ' ' PHE . 2.2 t -119.94 132.34 69.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -132.23 -173.41 13.31 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.533 1.146 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 62.73 22.08 13.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 0.779 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.659 HG12 HD13 ' A' ' 87' ' ' LEU . 2.3 mt -96.92 114.36 64.48 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.403 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 18.4 Cg_endo -75.03 178.4 7.32 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.457 1.767 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.562 ' CE2' ' HD2' ' A' ' 56' ' ' PRO . 3.2 m-85 -72.85 -9.66 58.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.7 -9.67 42.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.331 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.527 ' HB3' HG22 ' A' ' 23' ' ' ILE . . . -108.2 96.31 6.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.969 ' O ' HD22 ' A' ' 32' ' ' LEU . 7.3 p -90.6 174.79 7.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.432 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.689 ' HG3' HD11 ' A' ' 47' ' ' LEU . 45.5 mt-10 -57.71 -29.46 64.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.264 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.11 -33.47 72.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -91.06 -45.13 8.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.969 HD22 ' O ' ' A' ' 28' ' ' THR . 0.2 OUTLIER -57.27 -49.16 76.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.511 ' HG3' HG11 ' A' ' 42' ' ' VAL . 6.2 ttpt -61.58 -37.81 85.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.93 -38.94 89.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.23 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.935 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 7.9 mt -68.36 -46.87 79.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.464 ' HZ ' HG22 ' A' ' 20' ' ' VAL . 2.0 m-85 -67.98 -29.36 68.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.458 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 59.9 p -63.6 -34.57 78.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 109.988 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.412 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 9.1 tp10 -71.14 -12.62 61.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.623 HG21 HD11 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -104.24 7.1 10.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.458 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 140.01 176.45 15.03 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.469 1.106 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.725 ' HD2' HG21 ' A' ' 69' ' ' THR . 18.1 Cg_endo -75.02 109.74 2.99 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.476 1.777 . . . . 0.0 111.008 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.522 ' CG2' ' SG ' ' A' ' 62' ' ' CYS . 14.5 p -87.94 137.91 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.671 HG12 ' N ' ' A' ' 44' ' ' SER . 2.7 t -89.97 -80.98 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.671 ' N ' HG12 ' A' ' 43' ' ' VAL . 0.4 OUTLIER -124.74 163.71 21.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.988 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.601 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.6 OUTLIER -153.03 115.7 4.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -130.38 130.99 45.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.285 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.739 HD23 ' HA3' ' A' ' 60' ' ' GLY . 0.2 OUTLIER -110.75 177.37 4.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.924 HG12 HD13 ' A' ' 104' ' ' LEU . 3.9 m -89.36 121.65 39.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.53 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 0.8 OUTLIER -126.74 118.91 25.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 54' ' ' GLY . 14.0 m-20 -71.01 109.32 5.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.7 mtm180 -73.05 -30.52 63.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -71.6 -32.54 68.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 110.294 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.5 m -106.03 -3.87 21.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.393 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 50.24 20.53 3.52 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.457 1.098 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.6 mmtt -117.89 145.33 36.43 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.562 ' HD2' ' CE2' ' A' ' 25' ' ' TYR . 18.4 Cg_endo -74.96 140.88 26.09 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.465 1.771 . . . . 0.0 111.017 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.904 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -62.68 -56.15 20.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 138.57 -20.04 3.14 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.519 1.137 . . . . 0.0 111.033 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.911 ' CE2' HG21 ' A' ' 48' ' ' VAL . 36.8 p90 -124.27 156.88 36.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 0.798 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.739 ' HA3' HD23 ' A' ' 47' ' ' LEU . . . -157.74 -172.65 25.18 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.408 ' CE2' HD11 ' A' ' 101' ' ' LEU . 92.5 m-85 -132.57 137.71 47.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 0.775 . . . . 0.0 111.002 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.601 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 4.9 t -114.07 120.32 40.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 108.297 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -96.42 123.41 40.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.273 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -101.2 179.48 4.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.611 ' HG3' HG21 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -108.09 -9.38 15.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.279 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.445 ' HB2' ' CB ' ' A' ' 69' ' ' THR . 0.0 OUTLIER -125.95 128.87 48.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.966 ' NE2' HD22 ' A' ' 15' ' ' LEU . 43.2 tt0 -64.63 -46.84 80.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -61.17 -37.37 82.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.725 HG21 ' HD2' ' A' ' 41' ' ' PRO . 84.8 m -66.42 -39.15 88.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.382 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.31 -40.33 89.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.541 ' C ' HD12 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -70.37 -49.0 53.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.414 ' N ' ' HG ' ' A' ' 71' ' ' LEU . 3.8 m -60.1 -38.44 82.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.995 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.48 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . . . -66.64 -37.95 85.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.634 ' O ' ' HB3' ' A' ' 78' ' ' ASN . 0.2 OUTLIER -62.11 -47.95 82.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.968 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -77.63 -26.85 50.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.327 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.487 ' CB ' ' CG1' ' A' ' 39' ' ' VAL . 1.8 m120 -68.48 -35.26 77.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.877 ' HB2' HG21 ' A' ' 89' ' ' VAL . 4.0 mt -103.87 -75.66 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.634 ' HB3' ' O ' ' A' ' 74' ' ' MET . 1.0 OUTLIER 36.8 33.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.163 . . . . 0.0 109.293 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.478 ' O ' ' HB1' ' A' ' 86' ' ' ALA . . . 117.0 49.82 0.41 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.777 ' CB ' HD23 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -81.7 125.6 30.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.484 0.755 . . . . 0.0 110.291 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.92 134.27 56.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.935 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 15.8 t80 -175.84 -43.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.974 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 88.6 p -88.33 18.69 4.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.977 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 90.0 5.88 70.15 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.545 1.153 . . . . 0.0 111.032 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -147.31 -85.25 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 0.747 . . . . 0.0 110.3 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.478 ' HB1' ' O ' ' A' ' 79' ' ' GLY . . . -174.05 140.17 0.69 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.659 HD13 HG12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -94.46 95.39 8.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.5 130.75 48.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.308 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.877 HG21 ' HB2' ' A' ' 77' ' ' LEU . 6.0 t -125.85 133.56 68.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.585 ' OD2' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -139.32 155.88 47.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.456 ' N ' ' SD ' ' A' ' 74' ' ' MET . 0.1 OUTLIER -78.48 125.02 28.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -59.06 -14.78 10.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.911 ' HB2' ' O ' ' A' ' 14' ' ' SER . . . -86.02 18.46 3.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.352 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.42 149.6 31.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 110.004 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -68.13 -36.54 79.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.281 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.2 pttt -80.57 -29.2 37.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.774 ' O ' HD12 ' A' ' 101' ' ' LEU . 1.7 m-80 -72.24 -19.84 61.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.31 -29.87 70.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.73 -42.24 74.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.438 ' OE2' ' CE2' ' A' ' 59' ' ' TYR . 6.6 mm-40 -71.52 -44.47 64.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.774 HD12 ' O ' ' A' ' 97' ' ' ASN . 0.4 OUTLIER -63.3 -32.97 74.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.307 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -54.52 -28.66 46.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.75 -36.22 20.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.008 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.924 HD13 HG12 ' A' ' 48' ' ' VAL . 2.9 tp -79.36 -9.49 59.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 101' ' ' LEU . . . 114.81 -94.37 0.67 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.429 1.08 . . . . 0.0 111.031 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.413 ' HB ' ' O ' ' A' ' 105' ' ' GLY . 1.8 t -178.61 -42.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 0.777 . . . . 0.0 110.406 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.4 ' O ' ' NH1' ' A' ' 13' ' ' ARG . . . 161.81 119.9 0.52 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.51 1.132 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.535 ' HB1' ' HD2' ' A' ' 109' ' ' PRO . . . -152.36 165.62 17.11 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.535 ' HD2' ' HB1' ' A' ' 108' ' ' ALA . 18.3 Cg_endo -75.03 175.1 11.69 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.494 1.787 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 14.5 p -131.49 144.53 37.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 81.7 mt . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 179.988 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.572 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 1.3 t0 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 8' ' ' ASP . 18.2 Cg_endo -75.02 152.82 41.15 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.547 1.814 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -117.73 -5.87 11.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 37.0 t -86.24 -32.88 6.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.28 -34.99 72.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.37 -39.62 76.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.54 -31.7 73.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.995 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.547 ' CB ' ' NE2' ' A' ' 67' ' ' GLN . 0.2 OUTLIER -69.28 -16.87 63.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.556 ' O ' ' HB1' ' A' ' 70' ' ' ALA . 35.7 mtm-85 -87.49 -63.91 1.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.559 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 36.6 m -37.4 117.3 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 0.0 109.998 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.447 ' CG1' ' HG3' ' A' ' 74' ' ' MET . 0.4 OUTLIER -111.49 125.73 68.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.53 ' CD1' ' OD2' ' A' ' 90' ' ' ASP . 4.1 t80 -80.05 129.45 34.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.927 HG12 HD11 ' A' ' 23' ' ' ILE . 12.9 t -115.7 132.99 63.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.115 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.78 -176.74 14.52 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 61.18 24.4 14.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 0.754 . . . . 0.0 109.332 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.927 HD11 HG12 ' A' ' 20' ' ' VAL . 3.4 mt -95.22 114.44 63.77 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.46 ' CD ' ' HB3' ' A' ' 83' ' ' SER . 18.4 Cg_endo -75.02 -177.62 3.6 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.533 1.807 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.576 ' CE2' ' HD2' ' A' ' 56' ' ' PRO . 4.8 m-85 -77.57 -6.91 55.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 111.062 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -91.61 -9.91 42.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 110.313 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.44 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -113.12 95.62 5.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . 1.0 ' O ' HD22 ' A' ' 32' ' ' LEU . 6.8 p -90.76 174.25 7.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 110.388 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.757 ' HG3' HD11 ' A' ' 47' ' ' LEU . 26.1 mt-10 -58.0 -30.05 65.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.65 -33.57 73.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.267 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -89.71 -45.19 9.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.345 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.0 HD22 ' O ' ' A' ' 28' ' ' THR . 0.2 OUTLIER -57.18 -49.11 76.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.25 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.976 ' HG3' HG11 ' A' ' 42' ' ' VAL . 0.5 OUTLIER -61.03 -37.97 84.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -65.98 -37.7 86.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.67 HD11 ' CE2' ' A' ' 82' ' ' PHE . 24.0 mt -68.17 -47.39 78.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.466 ' HB3' ' CG2' ' A' ' 42' ' ' VAL . 0.2 OUTLIER -68.43 -29.1 67.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.428 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 57.8 p -62.33 -41.98 99.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.994 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -66.01 -12.09 52.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.951 HG21 HD11 ' A' ' 77' ' ' LEU . 6.1 t -103.93 7.01 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.428 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 137.49 -175.84 20.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.544 1.152 . . . . 0.0 110.965 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 132.24 15.18 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.485 1.781 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.976 HG11 ' HG3' ' A' ' 33' ' ' LYS . 31.1 t -106.09 139.43 27.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.616 HG12 ' N ' ' A' ' 44' ' ' SER . 3.1 t -97.19 -79.88 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.616 ' N ' HG12 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -125.39 171.29 10.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.996 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.55 ' CE2' ' HB2' ' A' ' 62' ' ' CYS . 0.7 OUTLIER -167.53 114.6 0.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.964 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -135.08 132.27 37.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.757 HD11 ' HG3' ' A' ' 29' ' ' GLU . 0.2 OUTLIER -107.15 177.69 4.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 109.3 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.043 HG12 HD13 ' A' ' 104' ' ' LEU . 3.7 m -88.82 121.58 39.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.524 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 0.8 OUTLIER -128.48 118.83 23.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.147 . . . . 0.0 110.981 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 54' ' ' GLY . 13.7 m-20 -70.12 109.31 4.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 64.5 mtt180 -72.97 -29.91 63.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -70.88 -32.32 69.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.467 ' OG1' ' CB ' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -111.88 5.77 19.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.402 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 39.49 27.91 0.1 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 53' ' ' THR . 3.7 ptmt -117.83 144.65 34.91 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.576 ' HD2' ' CE2' ' A' ' 25' ' ' TYR . 18.3 Cg_endo -75.01 142.22 27.56 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.511 1.795 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.928 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -68.04 -55.35 12.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 136.97 -20.48 3.41 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.488 1.118 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.913 ' CE2' HG21 ' A' ' 48' ' ' VAL . 39.4 p90 -125.51 156.88 38.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 0.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.739 ' HA3' HD23 ' A' ' 47' ' ' LEU . . . -157.27 -173.34 25.57 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.483 1.115 . . . . 0.0 110.958 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.571 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 61.1 m-85 -132.2 137.69 47.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.55 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 25.5 t -114.96 125.57 53.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 108.312 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.409 ' HG3' ' CB ' ' A' ' 44' ' ' SER . 1.6 pt-20 -98.87 123.31 43.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.824 ' CE1' HG22 ' A' ' 69' ' ' THR . 2.3 m-85 -95.04 -168.65 1.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.946 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.486 ' HB2' HG23 ' A' ' 43' ' ' VAL . 2.9 tt0 -115.07 -14.91 11.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -135.13 132.68 38.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.547 ' NE2' ' CB ' ' A' ' 15' ' ' LEU . 0.4 OUTLIER -59.69 -43.2 94.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.279 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.82 -38.04 80.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.824 HG22 ' CE1' ' A' ' 64' ' ' TYR . 33.9 m -67.99 -39.38 83.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.416 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.556 ' HB1' ' O ' ' A' ' 16' ' ' ARG . . . -68.11 -39.38 82.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.1 mt -70.15 -46.23 65.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 58.7 m -63.86 -38.0 89.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.994 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.772 ' HA ' HG11 ' A' ' 39' ' ' VAL . . . -66.87 -38.39 86.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.607 ' O ' ' HB3' ' A' ' 78' ' ' ASN . 1.7 mtp -62.65 -47.85 81.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.969 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.34 -26.83 52.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.281 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -68.69 -35.71 77.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.951 HD11 HG21 ' A' ' 39' ' ' VAL . 9.2 mp -104.41 -72.33 0.71 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.607 ' HB3' ' O ' ' A' ' 74' ' ' MET . 1.0 OUTLIER 36.79 33.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.522 ' O ' ' HB1' ' A' ' 86' ' ' ALA . . . 116.97 53.86 0.32 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.83 121.31 26.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 0.748 . . . . 0.0 110.322 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -54.89 137.61 45.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.311 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.67 ' CE2' HD11 ' A' ' 35' ' ' ILE . 7.8 t80 174.39 -41.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.562 ' OG ' HD13 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -88.87 19.17 4.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.002 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 85.03 5.89 85.5 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.484 1.115 . . . . 0.0 110.956 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.618 ' O ' ' HB2' ' A' ' 86' ' ' ALA . 0.5 OUTLIER -146.14 -74.25 0.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 0.769 . . . . 0.0 110.301 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.618 ' HB2' ' O ' ' A' ' 85' ' ' ARG . . . 167.7 134.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.562 HD13 ' OG ' ' A' ' 83' ' ' SER . 0.2 OUTLIER -82.38 93.54 7.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' A' ' 20' ' ' VAL . 12.3 mmt85 -60.54 128.23 35.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.721 HG21 ' HB2' ' A' ' 77' ' ' LEU . 3.1 t -125.55 124.62 67.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.53 ' OD2' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -139.7 154.62 47.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.453 ' N ' ' SD ' ' A' ' 74' ' ' MET . 0.5 OUTLIER -61.93 123.93 19.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.248 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -62.33 -13.82 33.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -91.52 24.37 3.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.77 150.55 30.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.025 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -63.38 -36.88 85.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -81.35 -33.82 32.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.47 ' N ' HD21 ' A' ' 97' ' ' ASN . 0.8 OUTLIER -72.32 -19.85 61.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 109.259 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -36.95 85.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.492 ' O ' ' CG ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -63.98 -37.8 88.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.312 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.461 ' OE2' ' CZ ' ' A' ' 59' ' ' TYR . 6.5 mm-40 -71.61 -42.8 67.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.571 ' HG ' ' CZ ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -62.87 -32.78 74.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.492 ' CG ' ' O ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -50.93 -29.15 11.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.56 -35.1 21.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.003 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 1.043 HD13 HG12 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -84.81 7.47 20.64 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -68.58 -82.43 0.17 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 23.1 m -141.5 139.5 33.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 110.403 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -44.61 143.55 2.66 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.461 1.101 . . . . 0.0 110.979 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -171.69 79.38 0.49 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.474 0.749 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 146.41 32.6 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.493 1.786 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 11.5 p -127.8 151.47 34.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.658 ' H ' HD12 ' A' ' 111' ' ' ILE . 4.7 mp . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.329 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 36.2 t70 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.717 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 18.2 Cg_endo -75.03 170.97 19.25 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.503 1.791 . . . . 0.0 110.995 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.717 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 161.61 -27.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.5 t -83.54 -32.95 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.602 ' HA ' HD12 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -59.95 -34.96 73.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 45.0 mtt180 -59.11 -37.77 77.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.337 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 71.1 m -61.34 -41.11 96.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.956 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.602 HD12 ' HA ' ' A' ' 12' ' ' ASP . 1.1 mt -70.2 -13.38 62.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.0 mtm-85 -103.61 59.91 0.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.597 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 9.3 m -176.27 138.33 0.32 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.022 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.635 HG12 ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -124.47 125.55 70.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.358 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.48 ' CZ ' ' OE1' ' A' ' 100' ' ' GLU . 28.4 t80 -76.56 129.19 36.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.445 ' HB ' HD11 ' A' ' 23' ' ' ILE . 2.1 t -117.7 133.1 65.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.51 -172.34 12.91 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 51.26 36.42 16.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 0.786 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.927 HD13 ' CD2' ' A' ' 32' ' ' LEU . 3.4 mt -95.48 114.47 63.98 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.502 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 18.3 Cg_endo -75.03 167.06 27.84 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 110.971 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.6 m-30 -66.64 -8.59 28.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -91.72 -11.72 36.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.258 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.553 ' HB1' HD11 ' A' ' 32' ' ' LEU . . . -115.97 95.87 5.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.544 ' O ' HD13 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -90.09 173.77 8.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.428 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.448 ' OE2' ' N ' ' A' ' 47' ' ' LEU . 41.2 mt-10 -58.29 -30.86 66.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.309 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.38 -33.37 75.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.292 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -85.72 -43.68 13.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.927 ' CD2' HD13 ' A' ' 23' ' ' ILE . 11.1 mp -60.59 -49.0 79.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.16 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.407 ' HD2' ' CG1' ' A' ' 42' ' ' VAL . 2.3 ttpp -56.36 -38.15 71.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -65.69 -38.15 88.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 0.0 109.349 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.896 HD12 ' HA ' ' A' ' 32' ' ' LEU . 8.2 mt -68.16 -47.06 80.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.849 ' CE1' HD13 ' A' ' 77' ' ' LEU . 3.8 m-85 -67.94 -29.07 68.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.488 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 54.2 p -62.66 -32.34 73.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 110.013 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.55 -11.16 22.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.332 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.851 HG11 ' CA ' ' A' ' 73' ' ' ALA . 60.9 t -102.3 -7.92 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.488 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 149.45 -167.45 29.69 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.467 1.104 . . . . 0.0 111.033 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.522 ' HD2' HG21 ' A' ' 69' ' ' THR . 18.1 Cg_endo -75.06 136.41 20.25 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.457 1.767 . . . . 0.0 110.953 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.407 ' CG1' ' HD2' ' A' ' 33' ' ' LYS . 71.9 t -106.06 122.3 59.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.476 ' CG2' ' HB2' ' A' ' 65' ' ' GLN . 59.6 t -70.87 -60.63 2.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.59 164.05 32.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.973 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.585 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.4 OUTLIER -143.23 122.22 12.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -132.4 131.66 42.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.87 HD11 ' CE2' ' A' ' 49' ' ' TYR . 1.3 pp -122.55 178.38 5.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.961 HG13 HD21 ' A' ' 104' ' ' LEU . 3.3 m -86.33 120.92 36.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.87 ' CE2' HD11 ' A' ' 47' ' ' LEU . 0.9 OUTLIER -123.06 119.29 29.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 111.044 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 54' ' ' GLY . 11.9 m-20 -72.62 109.21 6.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -73.71 -29.89 62.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -70.71 -32.42 69.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 110.313 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.459 ' OG1' ' CB ' ' A' ' 50' ' ' ASP . 1.0 OUTLIER -111.89 3.48 17.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.41 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 43.1 24.72 0.31 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.455 1.097 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.404 ' N ' ' C ' ' A' ' 53' ' ' THR . 3.1 mttt -118.27 145.78 37.92 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.56 0.8 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.579 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 18.3 Cg_endo -75.02 137.51 21.77 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.54 1.81 . . . . 0.0 111.028 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.872 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -59.65 -58.59 7.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 140.64 -16.31 2.87 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.906 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 40.8 p90 -126.74 157.21 39.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 0.78 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.481 ' HA3' ' CB ' ' A' ' 47' ' ' LEU . . . -168.28 -172.93 35.74 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.518 1.136 . . . . 0.0 110.987 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.575 ' CE2' ' HG ' ' A' ' 101' ' ' LEU . 37.0 m-85 -132.82 137.53 46.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 111.034 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.585 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 26.3 t -114.71 126.79 55.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 108.308 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.446 ' HA ' ' HA ' ' A' ' 17' ' ' SER . 4.4 tt0 -99.28 130.98 45.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.254 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.644 ' CE1' HG22 ' A' ' 69' ' ' THR . 7.2 m-85 -99.78 -168.61 1.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.476 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -109.59 -20.33 12.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.269 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -136.77 137.64 40.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.686 ' OE1' HD12 ' A' ' 71' ' ' LEU . 2.2 tm0? -57.26 -38.84 74.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 0.0 110.256 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -63.26 -37.82 88.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.644 HG22 ' CE1' ' A' ' 64' ' ' TYR . 25.7 m -66.88 -43.19 84.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 0.0 110.412 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.472 ' HB2' ' HB2' ' A' ' 64' ' ' TYR . . . -67.89 -39.39 83.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.686 HD12 ' OE1' ' A' ' 67' ' ' GLN . 6.2 mt -68.38 -42.61 78.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.466 ' C ' HG11 ' A' ' 39' ' ' VAL . 5.9 t -62.74 -38.8 91.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.973 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.851 ' CA ' HG11 ' A' ' 39' ' ' VAL . . . -66.56 -38.56 87.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.635 ' HG3' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -61.45 -48.5 80.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.9 ttm105 -76.76 -26.95 55.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -77.66 -18.96 56.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.849 HD13 ' CE1' ' A' ' 36' ' ' PHE . 4.7 mt -119.39 -80.14 0.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.545 ' HB3' ' O ' ' A' ' 74' ' ' MET . 7.3 p-10 31.07 66.74 0.14 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.46 53.79 2.69 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.466 1.104 . . . . 0.0 111.014 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -88.32 121.01 30.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 110.344 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.81 135.34 47.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.331 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.494 ' O ' ' CB ' ' A' ' 83' ' ' SER . 14.1 t80 -179.7 116.69 0.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 111.029 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 82' ' ' PHE . 0.6 OUTLIER 85.12 13.89 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.972 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.48 ' O ' ' CD ' ' A' ' 85' ' ' ARG . . . 90.76 16.41 54.76 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.48 1.112 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.48 ' CD ' ' O ' ' A' ' 84' ' ' GLY . 0.0 OUTLIER -150.99 159.82 44.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 0.745 . . . . 0.0 110.309 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.55 137.92 31.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.657 ' O ' HG23 ' A' ' 89' ' ' VAL . 1.9 mm? -90.58 87.88 6.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.93 124.8 18.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.336 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.707 HG21 ' HB2' ' A' ' 77' ' ' LEU . 3.3 t -125.32 124.23 66.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -139.63 135.91 33.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 90' ' ' ASP . 2.1 t30 -37.83 136.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.597 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -82.93 48.46 1.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.404 ' HB3' HD22 ' A' ' 91' ' ' ASN . . . -156.2 24.99 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.496 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -78.45 155.86 29.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.983 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -68.39 -33.28 73.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.1 pttt -82.22 -36.01 27.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.501 ' C ' ' OD1' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -73.54 -16.69 61.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.457 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 0.1 OUTLIER -60.71 -35.53 76.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -68.16 -37.56 81.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.333 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.48 ' OE1' ' CZ ' ' A' ' 19' ' ' PHE . 8.7 mt-10 -72.13 -42.96 65.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.575 ' HG ' ' CE2' ' A' ' 61' ' ' PHE . 2.9 mt -60.84 -38.61 86.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.7 tttt -46.33 -30.88 2.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.4 m -85.78 -33.4 21.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.032 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.961 HD21 HG13 ' A' ' 48' ' ' VAL . 0.8 OUTLIER -79.21 -9.49 59.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 101' ' ' LEU . . . -73.02 -168.57 13.11 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.493 1.121 . . . . 0.0 110.978 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 7.0 m 61.75 139.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 0.0 110.394 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -69.2 -113.08 0.03 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.493 1.121 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 60.8 80.83 0.25 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.786 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 162.65 36.82 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.457 1.767 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 18.6 m -122.03 150.1 25.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.452 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 1.9 m-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.452 ' HD3' ' N ' ' A' ' 8' ' ' ASP . 18.3 Cg_endo -75.0 140.01 24.94 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.525 1.802 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.28 -11.83 12.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 38.2 t -86.49 -33.04 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.55 -39.33 83.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.45 -41.49 80.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.593 ' CB ' ' HB2' ' A' ' 93' ' ' ALA . 0.4 OUTLIER -62.53 -39.89 95.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.982 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.579 ' HA ' HD22 ' A' ' 91' ' ' ASN . 1.1 mt -71.25 -12.71 61.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.49 ' O ' ' HB1' ' A' ' 70' ' ' ALA . 13.4 mtp180 -88.56 -79.41 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.29 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.503 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 16.7 m -38.55 114.01 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.025 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.449 ' CG1' ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -111.68 126.01 69.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 109.339 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.483 ' CE2' ' HB2' ' A' ' 59' ' ' TYR . 2.3 t80 -78.39 129.84 35.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.528 HG12 HD11 ' A' ' 23' ' ' ILE . 2.8 t -115.67 133.43 62.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -134.35 -174.53 13.52 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.43 1.081 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.445 ' CB ' ' O ' ' A' ' 86' ' ' ALA . 7.0 m-20 62.03 24.73 14.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 0.742 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.828 HG21 HD21 ' A' ' 32' ' ' LEU . 2.9 mt -96.44 113.87 63.34 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.47 ' HD3' ' CB ' ' A' ' 83' ' ' SER . 18.3 Cg_endo -74.94 174.83 12.09 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.464 1.771 . . . . 0.0 111.037 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.564 ' CE2' ' HD2' ' A' ' 56' ' ' PRO . 3.8 m-85 -74.31 -4.57 36.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 111.042 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.55 -9.32 44.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.155 . . . . 0.0 110.341 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.722 ' HB1' ' CD ' ' A' ' 31' ' ' GLN . . . -121.45 105.95 10.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.824 ' O ' HD22 ' A' ' 32' ' ' LEU . 4.5 p -95.95 176.93 5.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.355 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.882 ' HG3' HD11 ' A' ' 47' ' ' LEU . 24.4 mt-10 -55.32 -27.58 47.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -59.53 -33.08 70.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.722 ' CD ' ' HB1' ' A' ' 27' ' ' ALA . 0.2 OUTLIER -90.17 -45.61 8.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.26 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.828 HD21 HG21 ' A' ' 23' ' ' ILE . 0.4 OUTLIER -56.74 -49.02 76.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.918 ' HG3' HG11 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -61.36 -37.71 84.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.231 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.37 -39.18 91.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.164 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.674 HG22 HD21 ' A' ' 77' ' ' LEU . 43.9 mt -68.09 -46.67 81.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.436 ' HZ ' HG22 ' A' ' 20' ' ' VAL . 3.9 m-85 -67.75 -29.42 68.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 111.059 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.486 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 54.5 p -63.96 -33.54 75.95 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.462 1.101 . . . . 0.0 110.0 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -63.7 -10.84 21.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.412 1.07 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.526 HG11 ' HB2' ' A' ' 73' ' ' ALA . 5.0 t -101.92 -11.07 8.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.486 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 148.26 -163.65 28.94 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.518 1.136 . . . . 0.0 110.97 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 135.29 18.85 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.499 1.789 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.918 HG11 ' HG3' ' A' ' 33' ' ' LYS . 70.7 t -106.14 122.31 59.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.582 HG23 ' HB2' ' A' ' 65' ' ' GLN . 2.6 t -72.91 -74.44 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.57 ' N ' HG12 ' A' ' 43' ' ' VAL . 0.2 OUTLIER -137.33 174.45 10.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.0 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.589 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.7 OUTLIER -167.5 113.2 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -132.99 137.34 46.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.882 HD11 ' HG3' ' A' ' 29' ' ' GLU . 0.2 OUTLIER -111.78 178.6 4.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 1.069 HG12 HD13 ' A' ' 104' ' ' LEU . 3.3 m -90.22 122.45 41.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.517 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 0.9 OUTLIER -127.29 119.35 26.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 54' ' ' GLY . 26.5 m-20 -71.55 109.28 5.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 78.3 mtm-85 -72.99 -31.97 64.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -71.89 -32.72 67.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 60.3 m -104.49 -3.4 24.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 110.397 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 48.43 21.43 2.0 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.5 mmtt -118.06 144.93 35.74 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 0.757 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.564 ' HD2' ' CE2' ' A' ' 25' ' ' TYR . 18.2 Cg_endo -74.97 139.59 24.54 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.48 1.779 . . . . 0.0 110.983 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.887 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -61.46 -56.64 17.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.262 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 137.81 -21.37 3.2 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.544 1.152 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.859 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 53.1 p90 -124.64 157.25 35.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 0.789 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.763 ' HA3' HD23 ' A' ' 47' ' ' LEU . . . -156.35 -171.86 23.1 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.567 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 72.4 m-85 -132.33 137.76 47.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 0.764 . . . . 0.0 110.98 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.589 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 24.3 t -114.07 124.16 51.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 108.313 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.93 125.92 46.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.542 ' CE1' HG22 ' A' ' 69' ' ' THR . 2.6 m-85 -95.13 -167.35 1.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.582 ' HB2' HG23 ' A' ' 43' ' ' VAL . 3.4 tt0 -114.58 -15.01 12.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.252 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -139.94 135.89 33.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.466 ' CG ' ' HB3' ' A' ' 15' ' ' LEU . 11.4 tt0 -57.44 -38.57 74.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -63.03 -37.77 88.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.542 HG22 ' CE1' ' A' ' 64' ' ' TYR . 3.0 m -67.53 -42.51 82.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.438 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.49 ' HB1' ' O ' ' A' ' 16' ' ' ARG . . . -68.06 -39.46 83.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.9 mt -69.16 -42.15 76.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.409 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 3.6 m -64.78 -37.78 88.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.951 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.526 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -66.76 -38.63 86.98 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.661 ' HG2' HG12 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -63.56 -47.02 83.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 111.018 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.78 -25.59 49.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.281 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.409 ' CB ' ' O ' ' A' ' 72' ' ' SER . 3.6 m120 -75.6 -35.33 60.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.674 HD21 HG22 ' A' ' 35' ' ' ILE . 6.1 mp -103.67 -91.36 0.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.512 ' CB ' ' O ' ' A' ' 74' ' ' MET . 1.2 t-20 37.72 88.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 71.74 43.16 52.06 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.479 1.112 . . . . 0.0 110.963 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.11 120.56 27.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.782 . . . . 0.0 110.313 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -60.73 135.6 57.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.656 ' CE1' ' NE2' ' A' ' 31' ' ' GLN . 5.3 t80 -178.23 -42.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.501 ' OG ' ' CD2' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -88.49 18.98 4.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.018 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.27 5.85 86.82 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.502 1.126 . . . . 0.0 111.036 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.579 ' O ' ' HB2' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -142.26 -77.36 0.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 0.78 . . . . 0.0 110.329 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.579 ' HB2' ' O ' ' A' ' 85' ' ' ARG . . . 171.34 139.0 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.254 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.567 ' O ' HG23 ' A' ' 89' ' ' VAL . 0.2 OUTLIER -89.36 94.5 9.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.04 110.61 2.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 110.288 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.661 HG12 ' HG2' ' A' ' 74' ' ' MET . 38.9 t -115.42 121.55 67.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.76 154.4 46.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.579 HD22 ' HA ' ' A' ' 15' ' ' LEU . 0.9 OUTLIER -54.19 122.68 10.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.274 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -57.45 -17.98 15.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.593 ' HB2' ' CB ' ' A' ' 14' ' ' SER . . . -90.73 38.46 0.95 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.407 ' HB2' ' ND2' ' A' ' 97' ' ' ASN . 0.4 OUTLIER -92.23 154.47 18.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.972 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.75 -36.89 82.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -81.47 -33.86 31.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.407 ' ND2' ' HB2' ' A' ' 94' ' ' SER . 78.9 m-20 -72.34 -19.83 61.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -64.54 -43.95 92.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -62.53 -36.05 81.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.244 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.541 ' OE1' ' CZ ' ' A' ' 59' ' ' TYR . 2.0 mm-40 -71.57 -42.94 67.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.284 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.567 ' HG ' ' CZ ' ' A' ' 61' ' ' PHE . 0.6 OUTLIER -63.02 -32.77 74.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -51.96 -28.49 16.88 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.45 -35.95 20.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.012 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 1.069 HD13 HG12 ' A' ' 48' ' ' VAL . 3.3 tp -79.41 -9.59 59.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 101' ' ' LEU . . . -88.5 -111.78 1.14 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.9 t -38.78 147.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.77 . . . . 0.0 110.412 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 79.12 69.18 1.42 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.456 1.097 . . . . 0.0 110.966 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -131.66 78.52 70.63 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.461 0.742 . . . . 0.0 109.317 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -169.49 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.544 1.813 . . . . 0.0 110.977 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 31.7 m -125.13 136.74 59.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ILE . . . . . 0.512 ' C ' HD13 ' A' ' 111' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.431 ' HB3' ' CG ' ' A' ' 67' ' ' GLN . 2.5 mt -69.54 -13.55 62.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.0 mtm-85 -111.18 76.12 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.297 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.508 ' O ' ' CB ' ' A' ' 92' ' ' ALA . 3.2 m 175.27 125.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.991 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.577 HG12 ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -117.45 125.88 74.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.418 ' CE1' ' HB2' ' A' ' 59' ' ' TYR . 24.6 t80 -79.4 129.23 34.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.912 HG12 HD11 ' A' ' 23' ' ' ILE . 2.8 t -117.25 133.22 64.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -138.66 -175.62 14.08 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.483 1.114 . . . . 0.0 111.052 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.7 t30 62.61 21.9 12.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.755 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.912 HD11 HG12 ' A' ' 20' ' ' VAL . 3.1 mt -95.43 114.43 63.86 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -175.49 2.39 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.549 1.815 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.572 ' CE2' ' HD2' ' A' ' 56' ' ' PRO . 3.6 m-85 -75.39 -4.72 41.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 111.022 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -91.6 -15.71 28.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.637 ' HB3' HG22 ' A' ' 23' ' ' ILE . . . -110.49 93.42 4.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.975 ' O ' HD22 ' A' ' 32' ' ' LEU . 7.5 p -90.88 174.81 7.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.385 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.411 ' CD ' ' O ' ' A' ' 45' ' ' PHE . 13.1 mt-10 -57.73 -30.22 65.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -61.12 -33.81 73.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.266 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -88.5 -45.18 10.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.975 HD22 ' O ' ' A' ' 28' ' ' THR . 0.3 OUTLIER -57.01 -48.84 77.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.353 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -61.24 -37.87 84.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.25 -39.19 92.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.681 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 20.2 mt -67.57 -46.97 81.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.565 ' CE1' HD22 ' A' ' 77' ' ' LEU . 3.5 m-85 -68.27 -27.53 66.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 111.011 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.485 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 35.5 p -61.48 -32.93 72.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 110.048 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -68.03 -13.51 62.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.268 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.911 HG11 ' CA ' ' A' ' 73' ' ' ALA . 24.2 t -104.88 1.07 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.485 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 133.64 176.33 14.34 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.46 1.1 . . . . 0.0 110.973 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 123.34 7.82 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.544 1.812 . . . . 0.0 111.035 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.1 m -92.79 122.2 44.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.243 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.54 HG23 ' N ' ' A' ' 65' ' ' GLN . 97.9 t -55.91 -58.92 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.346 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.88 161.91 39.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 110.022 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.592 ' CE1' HD21 ' A' ' 47' ' ' LEU . 0.6 OUTLIER -147.07 116.96 7.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 111.0 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.494 ' C ' HD23 ' A' ' 47' ' ' LEU . 7.3 mmt180 -128.14 136.61 51.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.592 HD21 ' CE1' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -117.99 174.93 5.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.998 HG21 ' CE2' ' A' ' 59' ' ' TYR . 3.4 m -88.1 121.93 39.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.556 ' CE1' ' HB3' ' A' ' 56' ' ' PRO . 1.1 m-85 -126.21 119.28 27.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 54' ' ' GLY . 15.6 m-20 -72.14 109.09 5.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -73.1 -30.34 63.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.272 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -71.31 -32.45 68.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.461 HG22 ' CD ' ' A' ' 55' ' ' LYS . 18.5 m -105.91 -4.14 21.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.41 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 51.01 19.9 3.99 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.461 ' CD ' HG22 ' A' ' 53' ' ' THR . 0.8 OUTLIER -117.92 145.49 36.84 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.53 0.783 . . . . 0.0 109.333 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.572 ' HD2' ' CE2' ' A' ' 25' ' ' TYR . 18.4 Cg_endo -74.99 137.88 22.32 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.486 1.782 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.859 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -57.87 -57.41 12.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 137.92 -18.86 3.33 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.438 1.086 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.998 ' CE2' HG21 ' A' ' 48' ' ' VAL . 26.2 p90 -124.57 156.91 36.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.753 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.537 ' HA3' HD22 ' A' ' 47' ' ' LEU . . . -161.67 -174.35 31.44 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.476 1.11 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.567 ' CE2' ' HG ' ' A' ' 101' ' ' LEU . 75.5 m-85 -131.96 139.89 48.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.754 . . . . 0.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 26.0 t -117.6 121.99 42.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 108.29 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -100.25 123.51 44.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.298 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.462 ' C ' HG23 ' A' ' 43' ' ' VAL . 9.8 m-85 -93.58 -170.7 2.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.54 ' N ' HG23 ' A' ' 43' ' ' VAL . 2.2 tt0 -109.0 -15.12 14.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -136.91 134.27 36.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.431 ' CG ' ' HB3' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -57.26 -40.82 78.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.311 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -62.36 -37.68 86.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.274 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.409 HG22 ' CE1' ' A' ' 64' ' ' TYR . 23.6 m -65.57 -44.16 87.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 110.413 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.443 ' HB2' ' HB2' ' A' ' 64' ' ' TYR . . . -67.65 -39.52 84.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.3 mt -67.47 -42.0 83.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.447 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 5.0 t -62.96 -38.34 90.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.967 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.911 ' CA ' HG11 ' A' ' 39' ' ' VAL . . . -66.61 -38.26 86.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.577 ' HG3' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -63.28 -46.8 85.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.6 ttm180 -77.44 -26.12 51.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.352 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 72' ' ' SER . 1.0 OUTLIER -75.49 -35.05 60.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.656 HD21 HG22 ' A' ' 35' ' ' ILE . 8.2 mp -103.14 -90.92 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 74' ' ' MET . 1.5 t30 37.62 88.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.98 37.66 87.95 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.86 121.44 26.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 110.285 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.5 136.2 57.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.681 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 6.0 t80 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.687 HD13 HG12 ' A' ' 23' ' ' ILE . 0.4 OUTLIER -96.21 93.16 6.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 17.2 mtt-85 -63.82 118.78 8.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 87' ' ' LEU . 11.6 t -124.96 122.85 64.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -139.6 143.12 37.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.645 HD22 ' HB3' ' A' ' 93' ' ' ALA . 1.7 t30 -45.54 134.92 6.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -72.38 -13.33 61.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.539 1.15 . . . . 0.0 109.354 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.645 ' HB3' HD22 ' A' ' 91' ' ' ASN . . . -91.7 23.06 3.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.05 148.96 30.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.949 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -63.68 -36.34 83.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.263 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.02 -33.49 33.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.582 ' O ' HD12 ' A' ' 101' ' ' LEU . 6.7 m-20 -71.91 -19.79 61.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -65.16 -33.16 75.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.68 -40.43 92.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.327 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -71.44 -42.69 67.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 110.331 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.582 HD12 ' O ' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -62.87 -32.83 74.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.1 tptm -48.92 -28.73 4.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.56 -36.84 20.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.987 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.654 HD13 HG12 ' A' ' 48' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.452 ' CB ' ' NE2' ' A' ' 67' ' ' GLN . 0.8 OUTLIER -69.22 -16.69 63.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 109.307 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.593 ' O ' ' HB1' ' A' ' 70' ' ' ALA . 23.7 mtm-85 -93.1 -61.48 1.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.604 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 16.3 m -37.49 115.0 0.37 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.963 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.489 HG12 ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -111.92 125.88 69.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.244 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.66 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 30.3 t80 -81.61 129.7 34.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 111.035 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.98 HG12 HD11 ' A' ' 23' ' ' ILE . 17.1 t -116.84 133.14 64.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.99 -175.44 13.91 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.44 ' O ' ' ND2' ' A' ' 22' ' ' ASN . 0.6 OUTLIER 62.92 22.19 13.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 109.262 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.98 HD11 HG12 ' A' ' 20' ' ' VAL . 3.2 mt -95.47 114.28 63.55 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -164.12 0.22 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.46 1.768 . . . . 0.0 110.991 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 16.8 m-30 -87.88 -8.13 56.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -88.11 -11.67 46.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.258 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -117.76 96.45 5.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.105 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.792 ' O ' HD22 ' A' ' 32' ' ' LEU . 6.4 p -90.85 174.21 7.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.369 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.503 ' HG3' HD23 ' A' ' 47' ' ' LEU . 66.6 mt-10 -57.75 -30.53 65.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 110.322 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -60.7 -33.91 73.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.332 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -86.83 -45.06 11.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.863 HD21 HG21 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -56.78 -48.64 77.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.898 ' HG3' HG11 ' A' ' 42' ' ' VAL . 1.5 ttpt -61.18 -37.74 84.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.63 -39.48 93.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.816 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 6.8 mt -68.16 -46.28 81.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.47 ' HB3' ' CG2' ' A' ' 42' ' ' VAL . 0.3 OUTLIER -67.52 -29.31 68.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.953 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 52.1 p -62.95 -33.85 76.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 110.049 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.434 ' HA ' ' OE1' ' A' ' 38' ' ' GLU . 2.2 tp10 -70.87 -12.73 61.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.321 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.966 HG21 HD11 ' A' ' 77' ' ' LEU . 20.3 t -104.0 7.06 10.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.449 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 135.02 -174.66 21.04 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 132.64 15.66 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.457 1.767 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.898 HG11 ' HG3' ' A' ' 33' ' ' LYS . 53.4 t -104.58 122.29 57.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.658 HG23 ' HB2' ' A' ' 65' ' ' GLN . 2.4 t -72.13 -59.45 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.78 163.88 34.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.006 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.589 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.7 OUTLIER -152.26 114.82 4.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 111.025 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -125.44 129.6 50.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.343 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.833 HD11 ' CE2' ' A' ' 49' ' ' TYR . 3.9 pp -116.14 177.95 4.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.986 HG21 ' CE2' ' A' ' 59' ' ' TYR . 2.9 m -86.47 121.56 37.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.833 ' CE2' HD11 ' A' ' 47' ' ' LEU . 1.1 m-85 -122.79 119.62 31.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 54' ' ' GLY . 42.5 m-20 -75.76 109.69 9.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.4 mtt-85 -72.42 -28.12 62.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.331 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -68.99 -31.33 70.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.323 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -111.28 -3.14 15.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.417 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 53.15 17.85 5.86 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.568 1.167 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -117.92 146.26 38.6 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.463 0.743 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.58 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 18.0 Cg_endo -75.03 137.42 21.63 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 0.0 110.962 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.852 ' HB2' HG23 ' A' ' 48' ' ' VAL . 2.0 mmtm -53.34 -58.26 7.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 142.53 -17.04 2.45 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.986 ' CE2' HG21 ' A' ' 48' ' ' VAL . 32.9 p90 -125.76 156.61 39.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 0.754 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.479 ' HA3' ' CB ' ' A' ' 47' ' ' LEU . . . -166.04 -170.33 30.82 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.66 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 85.4 m-85 -132.11 137.85 47.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 0.786 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.589 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 11.7 t -116.2 121.62 42.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 108.292 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -100.0 123.35 44.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.669 ' CE1' HG22 ' A' ' 69' ' ' THR . 3.2 m-85 -92.44 -167.62 1.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.658 ' HB2' HG23 ' A' ' 43' ' ' VAL . 2.6 tt0 -108.8 -17.99 13.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.258 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -136.94 132.64 34.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.508 ' HG2' HD12 ' A' ' 71' ' ' LEU . 11.5 tt0 -57.33 -37.44 72.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.77 -38.15 89.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.669 HG22 ' CE1' ' A' ' 64' ' ' TYR . 89.1 m -68.33 -41.41 80.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.35 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.593 ' HB1' ' O ' ' A' ' 16' ' ' ARG . . . -68.0 -39.47 83.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.508 HD12 ' HG2' ' A' ' 67' ' ' GLN . 5.0 mt -69.59 -43.91 71.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.449 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 93.2 p -62.79 -38.26 89.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.016 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.928 ' HA ' HG11 ' A' ' 39' ' ' VAL . . . -66.88 -38.34 86.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.647 ' HG2' HG12 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -63.32 -47.06 83.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 111.032 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -77.52 -25.44 50.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 110.304 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 72' ' ' SER . 46.9 m-20 -75.94 -35.13 59.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.966 HD11 HG21 ' A' ' 39' ' ' VAL . 8.9 mp -103.46 -92.0 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' A' ' 74' ' ' MET . 1.3 t-20 36.34 85.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.344 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 84.98 32.71 20.22 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.41 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 3.4 tpt180 -81.87 120.33 25.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 0.788 . . . . 0.0 110.263 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -61.11 138.44 58.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.816 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 46.7 t80 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.57 ' O ' HG23 ' A' ' 89' ' ' VAL . 2.7 mm? -91.41 94.91 9.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.93 99.72 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.158 . . . . 0.0 110.332 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.647 HG12 ' HG2' ' A' ' 74' ' ' MET . 30.5 t -106.47 122.59 60.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.03 154.46 47.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.65 HD22 ' HB3' ' A' ' 93' ' ' ALA . 1.2 t30 -58.51 122.12 12.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.604 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -61.67 -14.03 27.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 109.318 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.65 ' HB3' HD22 ' A' ' 91' ' ' ASN . . . -90.62 23.58 2.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.77 154.51 28.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.01 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -64.46 -36.39 84.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.8 mmtt -81.13 -33.74 33.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.592 ' O ' HD12 ' A' ' 101' ' ' LEU . 72.1 m-20 -72.12 -19.93 61.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.25 -41.9 93.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.093 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -62.64 -35.23 78.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.586 ' OE2' ' CE2' ' A' ' 19' ' ' PHE . 9.8 mt-10 -71.57 -43.22 66.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.326 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.592 HD12 ' O ' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -63.14 -32.84 74.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.72 -28.71 15.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.3 t -85.49 -34.89 21.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.989 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.64 HD13 HG12 ' A' ' 48' ' ' VAL . 1.2 tp . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.51 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -69.47 -14.02 62.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.8 mtm-85 -107.78 71.62 0.82 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.503 ' O ' ' CB ' ' A' ' 92' ' ' ALA . 3.3 m 176.31 126.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.015 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.494 HG12 ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -119.07 125.98 74.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.279 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.587 ' CD2' ' OD1' ' A' ' 97' ' ' ASN . 1.7 t80 -79.48 129.44 34.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.559 ' HB ' HD11 ' A' ' 23' ' ' ILE . 2.2 t -115.93 133.31 62.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -134.83 174.54 21.04 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 t30 71.68 23.38 3.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 109.259 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.571 HG12 HD13 ' A' ' 87' ' ' LEU . 3.4 mt -95.13 114.2 63.18 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -179.54 5.09 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.473 1.775 . . . . 0.0 111.026 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -75.6 -5.07 43.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.56 -9.95 42.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.431 ' HB1' HD11 ' A' ' 32' ' ' LEU . . . -114.44 96.1 5.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.118 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.937 ' O ' HD22 ' A' ' 32' ' ' LEU . 10.3 p -90.63 174.74 7.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.398 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.557 ' HG3' HD11 ' A' ' 47' ' ' LEU . 36.0 mt-10 -57.54 -30.04 64.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 110.334 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -60.76 -33.56 73.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -89.95 -45.16 9.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.937 HD22 ' O ' ' A' ' 28' ' ' THR . 0.2 OUTLIER -57.27 -49.11 77.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.737 ' HG3' HG11 ' A' ' 42' ' ' VAL . 2.8 ttpp -61.76 -37.66 85.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.429 1.081 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.61 -38.54 89.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.966 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 8.0 mt -68.27 -47.22 79.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -68.15 -29.31 68.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.443 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 60.9 p -63.57 -35.19 79.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 109.984 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.406 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 15.0 tp10 -70.83 -12.59 61.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.248 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.704 HG11 ' HA ' ' A' ' 73' ' ' ALA . 1.7 t -104.17 7.17 10.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.443 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 135.03 -177.23 19.49 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 122.82 7.44 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.474 1.776 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.737 HG11 ' HG3' ' A' ' 33' ' ' LYS . 11.1 p -100.93 123.03 53.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.473 ' CG2' ' HB2' ' A' ' 65' ' ' GLN . 30.9 t -72.06 -76.15 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.5 p -134.87 160.93 36.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.983 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.587 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.8 OUTLIER -152.66 115.1 4.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.9 mtt-85 -130.95 140.91 50.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.287 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.744 HD23 ' HA3' ' A' ' 60' ' ' GLY . 0.2 OUTLIER -118.33 176.86 5.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.992 HG12 HD13 ' A' ' 104' ' ' LEU . 3.5 m -87.14 121.57 38.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.53 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 1.0 OUTLIER -124.83 119.24 28.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.579 1.174 . . . . 0.0 110.97 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 54' ' ' GLY . 17.1 m-20 -72.74 109.54 6.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.6 mtt-85 -72.58 -29.71 63.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -70.81 -31.38 68.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.3 p -108.32 -3.32 18.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.371 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 51.32 18.83 3.66 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 3.6 mttt -118.21 145.25 36.62 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.483 0.754 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.53 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . 18.4 Cg_endo -74.96 137.69 22.14 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.483 1.781 . . . . 0.0 111.012 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.881 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -55.99 -57.37 12.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 141.3 -19.73 2.64 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.504 1.128 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.89 ' O ' HG22 ' A' ' 48' ' ' VAL . 41.0 p90 -123.87 156.93 35.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.744 ' HA3' HD23 ' A' ' 47' ' ' LEU . . . -159.47 -174.0 28.65 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.569 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 80.3 m-85 -132.14 139.92 48.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 0.767 . . . . 0.0 111.023 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.587 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 9.7 t -117.83 121.48 40.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 108.295 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -99.92 123.41 44.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 110.275 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.887 ' CE2' HG22 ' A' ' 69' ' ' THR . 2.2 m-30 -94.22 -168.29 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.473 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . 1.0 OUTLIER -114.19 -13.42 12.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -132.97 131.24 40.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.244 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.465 ' CG ' ' HB3' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -60.74 -42.92 98.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 110.325 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -60.0 -37.69 80.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.887 HG22 ' CE2' ' A' ' 64' ' ' TYR . 94.2 m -67.01 -41.84 85.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.415 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.96 -39.41 90.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.257 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.521 ' C ' HD12 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -69.5 -48.39 60.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.44 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 3.4 m -59.98 -37.51 79.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.583 1.177 . . . . 0.0 109.986 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.704 ' HA ' HG11 ' A' ' 39' ' ' VAL . . . -66.7 -38.45 86.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.705 ' HG2' HG12 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -63.58 -47.27 82.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.978 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.76 -25.55 49.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 72' ' ' SER . 63.9 m-20 -75.9 -35.2 59.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.667 HD11 HG21 ' A' ' 39' ' ' VAL . 4.2 mt -103.62 -91.79 0.36 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.513 ' CB ' ' O ' ' A' ' 74' ' ' MET . 1.3 t-20 37.38 87.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 78.12 37.99 27.33 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.457 1.098 . . . . 0.0 111.034 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.27 120.86 26.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 0.748 . . . . 0.0 110.302 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.81 133.77 55.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.966 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 11.6 t80 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.611 ' O ' HG23 ' A' ' 89' ' ' VAL . 1.7 mm? -90.52 94.54 9.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -64.59 100.86 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.705 HG12 ' HG2' ' A' ' 74' ' ' MET . 42.7 t -106.27 122.04 59.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.356 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -139.97 137.56 34.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.706 HD22 ' HB3' ' A' ' 93' ' ' ALA . 2.1 t30 -40.27 135.34 1.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -73.52 -12.5 60.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.706 ' HB3' HD22 ' A' ' 91' ' ' ASN . . . -91.97 25.28 2.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.34 150.1 27.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.007 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -65.74 -36.54 83.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.329 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.66 -33.59 58.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.702 ' O ' HD12 ' A' ' 101' ' ' LEU . 1.9 m-80 -72.12 -19.78 61.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -64.54 -34.25 77.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.083 . . . . 0.0 109.263 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -66.21 -42.29 88.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.147 . . . . 0.0 110.257 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.554 ' HG2' ' CE2' ' A' ' 59' ' ' TYR . 0.7 OUTLIER -71.45 -42.79 67.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.702 HD12 ' O ' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -62.41 -32.84 73.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -54.31 -30.55 51.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.143 . . . . 0.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.1 t -85.72 -35.04 21.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.995 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.992 HD13 HG12 ' A' ' 48' ' ' VAL . 6.5 tp . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.044 HD13 ' NE2' ' A' ' 67' ' ' GLN . 8.1 mt -72.15 -12.6 61.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.6 mtp180 -115.08 54.57 0.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.584 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 36.2 m -164.3 126.25 2.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.009 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -123.72 125.68 71.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.564 ' CZ ' ' OE1' ' A' ' 100' ' ' GLU . 42.5 t80 -78.01 129.13 34.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.951 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.694 HG12 HD11 ' A' ' 23' ' ' ILE . 2.2 t -119.23 132.96 67.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -140.63 -176.45 15.26 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.499 1.124 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.414 ' HB2' ' NH1' ' A' ' 88' ' ' ARG . 21.9 t-20 58.6 29.4 18.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 0.789 . . . . 0.0 109.275 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.903 HD13 HD21 ' A' ' 32' ' ' LEU . 2.0 mt -99.16 118.89 61.86 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.252 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 173.74 13.99 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.481 1.78 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.524 ' CZ ' ' HD2' ' A' ' 56' ' ' PRO . 3.6 m-30 -73.63 -1.99 21.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -91.41 -9.62 44.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.329 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.573 ' HB1' HD11 ' A' ' 32' ' ' LEU . . . -114.72 98.23 6.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.349 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.542 ' O ' HD13 ' A' ' 32' ' ' LEU . 6.3 p -90.2 174.08 7.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.382 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.591 ' HG3' HD11 ' A' ' 47' ' ' LEU . 22.0 mt-10 -57.88 -30.85 66.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -63.64 -33.25 75.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.562 1.163 . . . . 0.0 110.34 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -86.94 -45.2 11.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.917 ' HA ' HD12 ' A' ' 35' ' ' ILE . 10.8 mp -58.77 -49.36 77.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.79 ' HG3' HG11 ' A' ' 42' ' ' VAL . 4.2 tttt -57.64 -37.76 73.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.402 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 0.5 OUTLIER -66.31 -37.0 84.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.94 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 8.5 mt -68.09 -47.89 76.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -68.89 -29.04 67.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.464 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 68.7 p -63.0 -33.53 75.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 109.998 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.402 ' CG ' ' O ' ' A' ' 34' ' ' ASP . 2.5 mt-10 -65.54 -12.54 53.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.585 1.178 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.962 HG11 ' HA ' ' A' ' 73' ' ' ALA . 4.3 t -103.96 7.26 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.464 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 130.18 -171.3 20.56 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 119.43 5.64 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.546 1.814 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.79 HG11 ' HG3' ' A' ' 33' ' ' LYS . 11.1 p -92.74 122.15 43.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.754 HG12 ' N ' ' A' ' 44' ' ' SER . 2.3 t -66.07 -81.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.754 ' N ' HG12 ' A' ' 43' ' ' VAL . 0.1 OUTLIER -132.55 167.46 19.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 110.004 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' A' ' 62' ' ' CYS . 0.8 OUTLIER -160.76 114.21 2.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -132.84 142.13 48.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.316 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.768 HD23 ' HA3' ' A' ' 60' ' ' GLY . 0.2 OUTLIER -116.72 176.67 5.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.92 HG21 ' CE2' ' A' ' 59' ' ' TYR . 3.7 m -88.2 121.67 38.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 2.5 m-85 -123.81 119.35 29.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 111.053 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 54' ' ' GLY . 3.8 m-20 -74.2 108.19 6.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.4 mtt-85 -73.12 -27.72 61.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.24 -29.69 67.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.244 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.641 HG23 ' CD ' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -111.04 -6.62 14.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.363 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 58.36 17.66 33.02 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.641 ' CD ' HG23 ' A' ' 53' ' ' THR . 0.7 OUTLIER -119.78 145.62 39.83 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.576 0.81 . . . . 0.0 109.26 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.524 ' HD2' ' CZ ' ' A' ' 25' ' ' TYR . 18.3 Cg_endo -74.97 137.84 22.31 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.507 1.793 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.837 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -53.31 -57.49 10.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 141.9 -20.24 2.52 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.504 1.127 . . . . 0.0 110.965 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.92 ' CE2' HG21 ' A' ' 48' ' ' VAL . 32.9 p90 -122.74 156.51 34.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 0.768 . . . . 0.0 111.048 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.768 ' HA3' HD23 ' A' ' 47' ' ' LEU . . . -157.59 -175.04 28.07 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.559 ' CE2' ' HG ' ' A' ' 101' ' ' LEU . 75.6 m-85 -132.2 139.68 48.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 0.784 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.574 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 27.0 t -117.79 123.07 45.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 108.261 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -99.76 125.37 45.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.284 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.467 ' CD2' ' HA ' ' A' ' 70' ' ' ALA . 2.5 m-85 -94.34 -167.09 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.519 ' HB2' HG23 ' A' ' 43' ' ' VAL . 0.1 OUTLIER -112.74 -15.22 13.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -141.48 133.81 28.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 1.044 ' NE2' HD13 ' A' ' 15' ' ' LEU . 32.9 tt0 -57.39 -37.93 73.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 110.272 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -61.66 -38.59 88.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.3 m -68.1 -41.22 82.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 0.0 110.372 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.467 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . . . -67.89 -38.93 83.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.5 mt -69.22 -46.05 68.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.419 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 8.6 t -62.31 -38.44 89.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.986 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.962 ' HA ' HG11 ' A' ' 39' ' ' VAL . . . -66.26 -38.05 86.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.533 ' O ' ' CB ' ' A' ' 78' ' ' ASN . 5.5 mtp -62.59 -46.45 88.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 111.041 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -77.22 -25.8 52.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 72' ' ' SER . 10.6 m-20 -75.66 -35.27 60.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.673 HD21 HG22 ' A' ' 35' ' ' ILE . 7.5 mp -104.75 -91.35 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.533 ' CB ' ' O ' ' A' ' 74' ' ' MET . 1.6 t30 39.59 90.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 69.62 35.43 74.43 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.543 1.152 . . . . 0.0 110.962 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.83 120.86 25.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 0.772 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -53.95 140.63 30.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.341 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.94 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 38.7 t80 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 111.012 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.589 HD21 HG23 ' A' ' 23' ' ' ILE . 7.8 mt -95.63 85.5 4.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.414 ' NH1' ' HB2' ' A' ' 22' ' ' ASN . 0.0 OUTLIER -60.23 118.82 6.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 87' ' ' LEU . 78.2 t -125.64 123.49 64.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -139.99 137.12 34.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.678 HD22 ' HB3' ' A' ' 93' ' ' ALA . 1.2 t30 -40.53 122.88 1.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -64.47 -11.88 38.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.678 ' HB3' HD22 ' A' ' 91' ' ' ASN . . . -90.23 22.81 3.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.6 t -79.7 154.58 28.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.01 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -67.31 -33.03 74.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.122 . . . . 0.0 110.315 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.19 -34.09 32.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.621 ' O ' HD12 ' A' ' 101' ' ' LEU . 86.7 m-20 -72.45 -19.63 61.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 11.2 tttm -64.18 -39.01 93.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -65.36 -38.39 89.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.564 ' OE1' ' CZ ' ' A' ' 19' ' ' PHE . 7.8 mt-10 -71.62 -42.98 66.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.621 HD12 ' O ' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -62.89 -32.95 74.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.9 ttpp -49.82 -28.76 6.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.268 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.58 -36.3 20.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.995 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.742 HD13 HG12 ' A' ' 48' ' ' VAL . 1.5 tp . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.431 ' HB3' ' CG ' ' A' ' 67' ' ' GLN . 10.1 mt -69.45 -13.75 62.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.4 mtm-85 -110.04 59.99 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.584 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 25.2 m -170.79 122.6 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.017 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.476 HG23 ' HE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -118.25 125.65 74.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.537 ' CD1' ' OD2' ' A' ' 90' ' ' ASP . 2.8 t80 -79.85 129.29 34.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.936 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.786 HG12 HD11 ' A' ' 23' ' ' ILE . 2.2 t -115.31 133.01 62.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -140.25 -178.19 16.71 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.478 1.111 . . . . 0.0 111.025 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 23.6 t30 56.92 32.13 20.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 0.799 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.961 HD13 HD21 ' A' ' 32' ' ' LEU . 1.3 mt -101.95 122.29 47.73 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 168.49 24.71 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.461 1.769 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.571 ' CE2' ' HD2' ' A' ' 56' ' ' PRO . 3.4 m-85 -69.42 -5.9 26.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.15 -9.62 52.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.648 ' HB3' HG22 ' A' ' 23' ' ' ILE . . . -113.77 98.06 6.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.24 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.525 ' O ' HD13 ' A' ' 32' ' ' LEU . 10.2 p -90.02 174.09 7.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.413 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.774 ' HG3' HD11 ' A' ' 47' ' ' LEU . 19.1 mt-10 -58.03 -30.28 66.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.44 -33.18 74.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.329 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -87.9 -45.51 10.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.963 ' HA ' HD12 ' A' ' 35' ' ' ILE . 11.0 mp -59.19 -49.31 78.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -57.06 -37.92 72.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.9 -41.11 97.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.963 HD12 ' HA ' ' A' ' 32' ' ' LEU . 5.8 mt -65.69 -47.01 87.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.488 ' HZ ' HG22 ' A' ' 20' ' ' VAL . 3.4 m-85 -67.96 -28.37 67.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.535 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -62.15 -32.42 73.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.0 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -62.77 -11.37 17.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.981 HG11 ' HB2' ' A' ' 73' ' ' ALA . 86.7 t -102.39 -10.42 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.535 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 147.13 -171.36 27.84 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.448 1.092 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 121.03 6.33 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.522 1.801 . . . . 0.0 111.037 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.473 ' CG1' ' SG ' ' A' ' 62' ' ' CYS . 2.2 t -86.05 126.44 40.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.459 ' CG2' ' HB2' ' A' ' 65' ' ' GLN . 23.6 t -75.13 -70.87 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 98.7 p -140.02 164.32 30.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.998 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.594 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.7 OUTLIER -158.71 115.31 2.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.995 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.62 135.09 41.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 110.287 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.774 HD11 ' HG3' ' A' ' 29' ' ' GLU . 0.2 OUTLIER -110.86 176.47 5.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.344 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.91 HG23 ' HB2' ' A' ' 57' ' ' LYS . 3.5 m -87.01 121.93 38.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 1.0 OUTLIER -125.85 119.71 28.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 1.013 ' HB3' HG22 ' A' ' 53' ' ' THR . 14.5 m-20 -76.17 110.02 10.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.9 mtp-105 -71.89 -27.34 62.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -68.26 -32.19 72.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.249 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 1.013 HG22 ' HB3' ' A' ' 50' ' ' ASP . 8.5 t -112.16 -0.71 15.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.355 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 49.41 21.25 2.89 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.483 1.114 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.552 ' H ' HG23 ' A' ' 53' ' ' THR . 2.3 mttt -117.85 146.06 38.07 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.487 0.757 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.571 ' HD2' ' CE2' ' A' ' 25' ' ' TYR . 18.3 Cg_endo -74.96 137.76 22.23 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.517 1.799 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.91 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -56.97 -57.25 13.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 141.98 -19.61 2.52 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.904 ' CE2' HG21 ' A' ' 48' ' ' VAL . 31.0 p90 -124.52 156.63 37.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.773 . . . . 0.0 111.02 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.758 ' HA3' HD23 ' A' ' 47' ' ' LEU . . . -157.95 -175.09 28.48 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.57 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 73.8 m-85 -132.41 140.29 48.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.768 . . . . 0.0 110.954 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.594 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 14.1 t -121.05 124.32 44.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 108.287 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -99.87 123.32 44.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.259 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -93.16 -169.65 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.98 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.459 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . 3.0 tt0 -115.12 -14.63 11.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -129.95 132.18 46.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.351 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.431 ' CG ' ' HB3' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -62.55 -45.61 92.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 110.27 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -59.9 -37.38 79.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 39' ' ' VAL . 53.1 m -65.5 -43.71 89.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.404 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.63 -39.19 93.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.531 ' C ' HD12 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -68.95 -48.5 63.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.428 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 1.4 t -60.03 -37.46 79.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.999 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.981 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -66.69 -38.85 87.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.523 ' O ' ' CB ' ' A' ' 78' ' ' ASN . 3.3 mtp -64.57 -46.5 82.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.949 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -77.68 -25.63 49.63 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.428 ' CB ' ' O ' ' A' ' 72' ' ' SER . 68.7 m-20 -76.19 -36.07 58.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.697 HD21 HG22 ' A' ' 35' ' ' ILE . 9.9 mp -102.08 -91.45 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.523 ' CB ' ' O ' ' A' ' 74' ' ' MET . 1.6 t-20 37.29 89.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 73.24 33.11 59.43 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.92 121.21 26.21 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.459 0.74 . . . . 0.0 110.334 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.4 139.78 52.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.897 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 29.9 t80 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.97 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.75 HD23 ' CG1' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -90.28 93.6 9.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.06 102.08 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 87' ' ' LEU . 25.4 t -109.33 122.49 64.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.537 ' OD2' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -139.9 138.88 36.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.702 HD22 ' HB3' ' A' ' 93' ' ' ALA . 1.5 t30 -44.7 125.44 4.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -65.5 -11.8 46.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.702 ' HB3' HD22 ' A' ' 91' ' ' ASN . . . -91.99 26.54 2.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.9 151.08 30.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.996 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -63.92 -36.83 85.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 110.321 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.35 -33.87 32.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.346 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.619 ' O ' HD12 ' A' ' 101' ' ' LEU . 5.0 m-20 -72.23 -19.9 61.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.41 -39.08 91.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 109.25 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -65.09 -39.16 92.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.292 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.59 -42.75 67.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.619 HD12 ' O ' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -62.91 -32.87 74.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 109.254 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -52.57 -28.56 21.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.5 m -85.49 -36.93 20.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.988 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.852 HD13 HG12 ' A' ' 48' ' ' VAL . 4.3 tp . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.436 ' CB ' ' NE2' ' A' ' 67' ' ' GLN . 1.0 OUTLIER -69.44 -13.73 62.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.127 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.523 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 22.2 mtm-85 -89.37 -65.24 1.04 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.348 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.577 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 2.4 p -34.13 120.34 0.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.971 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.637 HG22 HG13 ' A' ' 89' ' ' VAL . 5.0 p -116.21 123.9 71.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.595 ' CD1' ' OD2' ' A' ' 90' ' ' ASP . 0.6 OUTLIER -77.4 143.85 38.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 111.016 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 1.03 HG12 HD11 ' A' ' 23' ' ' ILE . 59.6 t -134.23 132.95 55.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -141.09 -170.89 12.35 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.528 1.143 . . . . 0.0 111.03 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.4 t30 54.6 32.86 17.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 0.729 . . . . 0.0 109.271 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 1.03 HD11 HG12 ' A' ' 20' ' ' VAL . 2.8 mt -96.28 127.24 41.02 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.548 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 18.0 Cg_endo -75.04 159.04 41.71 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.498 1.788 . . . . 0.0 111.0 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -63.13 -11.33 19.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.11 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -91.56 -9.73 43.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.548 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . . . -108.88 94.9 5.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.891 ' O ' HD22 ' A' ' 32' ' ' LEU . 14.4 p -90.43 174.48 7.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.425 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.403 ' OE2' ' O ' ' A' ' 45' ' ' PHE . 7.9 mt-10 -57.69 -30.21 65.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 110.336 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -60.51 -33.64 72.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -89.37 -44.89 9.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.891 HD22 ' O ' ' A' ' 28' ' ' THR . 0.1 OUTLIER -56.89 -49.12 76.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.959 ' CG ' HG21 ' A' ' 42' ' ' VAL . 1.6 ttpt -60.98 -38.07 84.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -64.86 -38.69 91.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.794 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 7.6 mt -68.06 -46.98 80.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.746 ' HE2' HG21 ' A' ' 20' ' ' VAL . 1.0 OUTLIER -68.43 -27.22 65.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 111.014 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.437 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 31.3 p -60.75 -40.3 91.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.016 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -70.29 -14.09 62.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.286 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.876 HG21 HD11 ' A' ' 77' ' ' LEU . 3.0 t -105.47 7.24 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.437 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 137.58 163.37 9.64 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.544 1.153 . . . . 0.0 111.068 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 117.85 5.06 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.5 1.789 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.959 HG21 ' CG ' ' A' ' 33' ' ' LYS . 18.1 m -87.29 127.37 40.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.465 ' CG2' ' HG3' ' A' ' 65' ' ' GLN . 69.0 t -72.2 -56.57 9.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.7 167.06 25.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.008 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.71 ' CE1' HD21 ' A' ' 47' ' ' LEU . 0.7 OUTLIER -159.67 118.55 2.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.56 ' C ' HD23 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -136.15 131.04 34.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.324 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.71 HD21 ' CE1' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -109.43 175.42 5.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.037 HG12 HD13 ' A' ' 104' ' ' LEU . 4.2 m -88.18 121.67 38.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 0.9 OUTLIER -126.24 118.94 26.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 54' ' ' GLY . 45.0 m-20 -71.43 109.45 5.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.412 ' NH1' ' HB2' ' A' ' 51' ' ' ARG . 19.5 mtm105 -73.03 -30.38 63.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.307 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -71.24 -31.65 67.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.293 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.9 p -107.7 -3.09 19.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 110.321 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 49.7 20.57 2.87 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.5 1.125 . . . . 0.0 110.962 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -117.93 145.14 36.03 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.445 0.732 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . 18.3 Cg_endo -75.02 137.85 22.21 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.523 1.802 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.9 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.3 OUTLIER -58.47 -57.6 12.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 139.09 -17.77 3.16 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.921 ' CE2' HG21 ' A' ' 48' ' ' VAL . 37.8 p90 -125.67 157.08 38.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.776 . . . . 0.0 111.049 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.645 ' HA3' HD22 ' A' ' 47' ' ' LEU . . . -160.71 -175.99 32.32 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.565 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 70.3 m-85 -131.85 136.93 47.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 0.797 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.577 ' HB2' ' CE1' ' A' ' 45' ' ' PHE . 12.1 t -114.8 124.59 52.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 108.291 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -98.7 122.57 42.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.702 ' CE1' HG22 ' A' ' 69' ' ' THR . 2.3 m-85 -92.13 -166.96 1.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.465 ' HG3' ' CG2' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -111.62 -12.63 13.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.266 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.7 133.07 23.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.436 ' NE2' ' CB ' ' A' ' 15' ' ' LEU . 7.3 tt0 -56.54 -35.72 68.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.321 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -61.21 -37.06 81.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.702 HG22 ' CE1' ' A' ' 64' ' ' TYR . 98.8 m -68.38 -42.88 78.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.376 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 16' ' ' ARG . . . -65.59 -40.01 92.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.252 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.417 HD23 ' HE3' ' A' ' 74' ' ' MET . 6.9 mt -70.51 -46.15 64.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.356 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.452 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 47.8 t -61.45 -38.87 88.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.724 ' HA ' HG11 ' A' ' 39' ' ' VAL . . . -66.56 -38.18 86.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.646 ' CG ' HG12 ' A' ' 89' ' ' VAL . 0.9 OUTLIER -62.92 -46.9 85.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.999 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.78 -24.85 48.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.258 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 72' ' ' SER . 21.5 m-20 -74.86 -35.93 62.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.876 HD11 HG21 ' A' ' 39' ' ' VAL . 9.7 mp -103.71 -93.48 0.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.532 ' CB ' ' O ' ' A' ' 74' ' ' MET . 6.2 t30 32.37 82.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 92.5 33.31 7.61 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -90.84 120.11 31.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 110.269 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -65.9 139.5 58.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.311 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.794 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 39.4 t80 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.789 HD12 ' HB3' ' A' ' 82' ' ' PHE . 0.2 OUTLIER -107.63 96.1 6.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.434 ' O ' ' HA ' ' A' ' 20' ' ' VAL . 47.1 mtt-85 -81.77 127.55 33.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.646 HG12 ' CG ' ' A' ' 74' ' ' MET . 57.3 t -125.95 130.14 72.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.595 ' OD2' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -140.18 154.45 46.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.341 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.443 ' OD1' ' CE ' ' A' ' 74' ' ' MET . 0.8 OUTLIER -60.58 122.67 15.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -61.78 -14.11 29.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.437 ' HB3' HD22 ' A' ' 91' ' ' ASN . . . -91.33 22.23 4.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.2 t -79.67 150.37 30.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.007 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -67.99 -32.01 72.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.311 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.8 pttt -81.03 -34.5 32.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.738 ' O ' HD12 ' A' ' 101' ' ' LEU . 5.8 m-20 -72.66 -19.71 61.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.25 -32.62 74.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.19 -41.7 85.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -71.59 -43.01 67.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.738 HD12 ' O ' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -62.93 -32.9 74.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 29.2 tttt -55.25 -28.88 56.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.7 m -85.5 -34.35 21.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.977 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 1.037 HD13 HG12 ' A' ' 48' ' ' VAL . 7.0 tp . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.457 ' HB3' ' CG ' ' A' ' 67' ' ' GLN . 0.1 OUTLIER -69.1 -18.08 63.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -99.58 50.83 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.239 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.534 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 35.2 m -164.51 123.96 1.92 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.476 HG12 ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -119.84 125.6 74.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.572 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 15.9 t80 -77.78 129.39 35.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.543 HG13 HG22 ' A' ' 89' ' ' VAL . 2.1 t -121.79 132.91 69.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -136.1 -167.84 11.34 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 51.34 30.52 6.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 0.749 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.95 HD13 HD11 ' A' ' 32' ' ' LEU . 1.2 mt -98.06 114.44 65.11 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 176.46 9.88 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.505 1.792 . . . . 0.0 111.055 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.57 ' CE2' ' HD2' ' A' ' 56' ' ' PRO . 3.9 m-85 -73.18 -3.07 24.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 111.019 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -91.53 -9.89 42.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.536 ' HB2' ' HE1' ' A' ' 82' ' ' PHE . . . -116.42 96.69 5.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.2 p -90.55 173.82 7.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.363 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.68 ' HG3' HD11 ' A' ' 47' ' ' LEU . 14.8 mt-10 -57.94 -31.32 66.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -63.77 -33.26 75.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -84.53 -44.72 13.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.95 HD11 HD13 ' A' ' 23' ' ' ILE . 16.4 mt -58.95 -49.21 78.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.886 ' HG3' HG21 ' A' ' 42' ' ' VAL . 2.2 ttpt -57.4 -37.84 73.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.118 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.1 -36.49 82.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.885 HG22 HD21 ' A' ' 77' ' ' LEU . 10.9 mt -67.97 -48.25 75.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.482 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 1.7 m-85 -69.48 -27.94 65.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.502 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -61.86 -33.08 73.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.987 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -69.8 -13.63 62.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.936 HG11 ' HA ' ' A' ' 73' ' ' ALA . 40.2 t -104.87 -1.01 9.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.502 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 138.75 173.22 12.89 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 118.77 5.38 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.474 1.776 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.886 HG21 ' HG3' ' A' ' 33' ' ' LYS . 3.1 m -85.74 148.01 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.775 HG23 ' HB2' ' A' ' 65' ' ' GLN . 2.3 t -83.48 -49.99 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.64 166.76 13.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.963 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.682 ' CE1' ' CD2' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -149.74 117.8 6.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.6 mtm-85 -125.42 131.88 52.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.682 ' CD2' ' CE1' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -117.85 171.24 8.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.975 HG21 ' CZ ' ' A' ' 59' ' ' TYR . 3.1 m -86.32 121.78 37.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.553 ' CE1' ' HB3' ' A' ' 56' ' ' PRO . 0.9 OUTLIER -124.93 118.92 27.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 111.021 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 54' ' ' GLY . 68.5 m-20 -71.08 109.13 4.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.097 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -73.01 -29.89 63.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.288 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -71.02 -32.33 69.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.323 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.6 m -106.72 -4.38 19.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.429 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 53.9 17.5 7.24 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.539 1.149 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.7 mmtm -117.93 145.5 36.88 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.553 0.796 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.57 ' HD2' ' CE2' ' A' ' 25' ' ' TYR . 18.2 Cg_endo -74.95 137.59 22.04 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.492 1.785 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.824 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -53.84 -58.29 7.8 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 140.56 -17.01 2.87 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.452 1.095 . . . . 0.0 111.021 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.975 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 52.1 p90 -125.25 157.77 35.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 0.749 . . . . 0.0 110.973 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -164.67 -173.67 33.56 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.472 1.107 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.578 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 65.8 m-85 -132.2 145.72 51.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 0.778 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.589 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 11.6 t -121.93 124.45 44.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 108.312 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -100.2 127.26 46.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.585 ' CE1' HG22 ' A' ' 69' ' ' THR . 4.4 m-85 -98.54 -173.67 2.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 111.031 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.775 ' HB2' HG23 ' A' ' 43' ' ' VAL . 3.1 tm0? -113.83 -15.21 12.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -130.41 134.13 46.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.457 ' CG ' ' HB3' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -59.29 -47.99 83.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.257 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -60.68 -36.68 79.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.338 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.585 HG22 ' CE1' ' A' ' 64' ' ' TYR . 53.8 m -64.3 -44.56 91.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.402 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.492 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . . . -67.71 -40.44 84.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.7 mt -67.67 -38.6 83.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.453 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 36.7 m -65.63 -38.25 88.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.13 . . . . 0.0 109.999 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.936 ' HA ' HG11 ' A' ' 39' ' ' VAL . . . -66.45 -38.72 87.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.613 ' HG2' HG12 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -63.45 -46.74 84.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 111.047 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.66 -25.77 49.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 72' ' ' SER . 0.9 OUTLIER -75.79 -35.2 60.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.335 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.885 HD21 HG22 ' A' ' 35' ' ' ILE . 6.0 mp -104.42 -91.05 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.527 ' CB ' ' O ' ' A' ' 74' ' ' MET . 0.8 OUTLIER 39.47 90.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 61.03 40.75 98.94 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.1 131.3 34.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.752 . . . . 0.0 110.326 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.65 132.1 47.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.26 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.608 ' CE2' HD11 ' A' ' 35' ' ' ILE . 2.4 t80 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.107 . . . . 0.0 111.032 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.681 HD21 HG23 ' A' ' 23' ' ' ILE . 7.9 mt -105.38 93.66 4.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 61.8 mtt85 -62.89 119.77 10.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.316 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 87' ' ' LEU . 24.5 t -125.55 125.93 69.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -139.23 154.55 48.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.576 ' ND2' ' HB3' ' A' ' 93' ' ' ALA . 7.2 t30 -57.83 129.3 41.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -68.16 -9.58 47.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 109.26 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.576 ' HB3' ' ND2' ' A' ' 91' ' ' ASN . . . -96.89 19.34 12.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.425 ' HB3' ' ND2' ' A' ' 97' ' ' ASN . 5.3 t -79.76 152.31 29.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.022 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -59.92 -37.13 78.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -81.82 -26.58 34.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.78 ' O ' HD12 ' A' ' 101' ' ' LEU . 1.4 m-80 -71.99 -22.57 61.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.6 mttp -68.26 -35.85 78.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.83 -42.57 90.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.26 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.58 -43.01 67.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.334 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.78 HD12 ' O ' ' A' ' 97' ' ' ASN . 0.4 OUTLIER -61.6 -32.88 73.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.1 tttt -54.06 -32.36 54.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.5 m -86.26 -24.14 26.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.998 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.736 ' CD2' HG13 ' A' ' 48' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.541 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -70.24 -13.04 62.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.2 mtm-85 -112.17 75.42 0.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.464 ' HB3' ' CB ' ' A' ' 92' ' ' ALA . 0.1 OUTLIER 175.37 143.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.953 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.577 HG12 ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -125.06 125.93 70.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.521 ' CE1' ' OE2' ' A' ' 100' ' ' GLU . 21.5 t80 -74.72 129.41 37.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.607 ' CG1' HD12 ' A' ' 87' ' ' LEU . 1.8 t -115.37 133.25 62.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -145.52 -179.67 21.96 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.6 t30 61.75 32.09 18.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 0.736 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.906 HD13 HD11 ' A' ' 32' ' ' LEU . 2.2 mt -98.77 140.55 21.85 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.566 ' HD2' HG22 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.03 -162.47 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.556 1.819 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -97.5 -26.69 14.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.12 -9.54 58.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.148 . . . . 0.0 110.351 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.569 ' HB3' HG22 ' A' ' 23' ' ' ILE . . . -102.87 94.02 5.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.2 p -89.81 174.36 7.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 110.379 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.476 ' HG3' HD23 ' A' ' 47' ' ' LEU . 25.2 mt-10 -57.63 -31.57 66.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.82 -33.65 75.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -84.62 -44.41 13.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.066 HD21 HD11 ' A' ' 87' ' ' LEU . 20.1 mt -57.97 -49.53 76.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.951 ' HG3' HG11 ' A' ' 42' ' ' VAL . 1.8 ttpm? -57.27 -38.16 73.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.65 -35.92 81.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.95 HD12 ' HA ' ' A' ' 32' ' ' LEU . 9.1 mt -68.33 -48.41 73.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -68.93 -29.44 67.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 111.035 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.446 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 75.6 p -63.35 -36.74 84.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.985 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -69.66 -12.5 61.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.74 HG11 ' HA ' ' A' ' 73' ' ' ALA . 2.5 t -104.01 7.04 10.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.446 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 139.97 -178.37 19.85 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.503 1.127 . . . . 0.0 110.983 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 121.24 6.46 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.508 1.793 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.951 HG11 ' HG3' ' A' ' 33' ' ' LYS . 24.4 t -92.37 139.07 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.485 ' CG2' ' HB2' ' A' ' 65' ' ' GLN . 47.4 t -94.19 -70.47 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.88 171.76 14.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.0 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.591 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.5 OUTLIER -166.05 114.63 0.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.99 128.68 40.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.832 HD11 ' CE2' ' A' ' 49' ' ' TYR . 4.1 pp -113.68 178.21 4.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.987 HG21 ' CE2' ' A' ' 59' ' ' TYR . 2.8 m -86.9 121.54 37.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.832 ' CE2' HD11 ' A' ' 47' ' ' LEU . 1.1 m-85 -123.45 119.87 31.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.979 ' HB3' HG22 ' A' ' 53' ' ' THR . 3.9 m-20 -77.6 110.12 12.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -71.77 -27.01 62.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -68.07 -31.9 71.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.979 HG22 ' HB3' ' A' ' 50' ' ' ASP . 8.1 t -111.82 -3.08 15.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.414 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 53.48 17.93 6.78 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.453 1.095 . . . . 0.0 110.964 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.604 ' H ' HG23 ' A' ' 53' ' ' THR . 0.3 OUTLIER -117.82 146.42 38.86 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.46 0.741 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.583 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 18.3 Cg_endo -75.01 137.43 21.69 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.498 1.788 . . . . 0.0 110.964 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.864 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -52.86 -58.09 8.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 143.06 -17.27 2.34 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.512 1.132 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.987 ' CE2' HG21 ' A' ' 48' ' ' VAL . 29.4 p90 -125.75 156.51 39.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.76 . . . . 0.0 110.947 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.481 ' HA3' ' CB ' ' A' ' 47' ' ' LEU . . . -165.3 -169.5 29.01 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.498 1.124 . . . . 0.0 111.041 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.553 ' CE2' ' HG ' ' A' ' 101' ' ' LEU . 33.9 m-85 -132.44 137.44 47.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.76 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.591 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 34.1 t -113.69 124.95 53.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 108.281 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -99.13 123.43 43.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.258 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.664 ' CE1' HG22 ' A' ' 69' ' ' THR . 2.0 m-85 -92.61 -167.53 1.77 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.995 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.485 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . 0.3 OUTLIER -113.1 -13.66 13.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 110.33 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -141.12 132.92 27.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.38 -38.35 74.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.86 -38.16 89.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.664 HG22 ' CE1' ' A' ' 64' ' ' TYR . 64.1 m -66.74 -41.28 88.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.375 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.424 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . . . -66.49 -39.19 88.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.527 ' C ' HD12 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -69.34 -48.55 61.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.601 1.188 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.418 ' N ' ' HG ' ' A' ' 71' ' ' LEU . 7.5 t -59.95 -38.06 81.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.74 ' HA ' HG11 ' A' ' 39' ' ' VAL . . . -66.39 -38.23 87.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.622 ' HG2' HG12 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -62.6 -46.58 87.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.995 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -77.44 -25.99 51.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 22.1 m-20 -74.98 -35.22 62.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.564 HD11 HG21 ' A' ' 39' ' ' VAL . 1.5 mt -103.17 -91.2 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 74' ' ' MET . 2.5 t30 36.01 87.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 79.95 37.56 21.95 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.22 120.91 28.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.72 137.84 58.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.906 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 58.0 t80 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 111.032 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 1.066 HD11 HD21 ' A' ' 32' ' ' LEU . 2.2 mm? -100.44 96.26 7.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -71.9 103.08 3.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.317 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.622 HG12 ' HG2' ' A' ' 74' ' ' MET . 21.9 t -106.61 122.9 61.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 91' ' ' ASN . 0.0 OUTLIER -139.61 138.66 36.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.457 HD22 ' HB3' ' A' ' 93' ' ' ALA . 1.7 t30 -38.93 120.19 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.464 ' CB ' ' HB3' ' A' ' 17' ' ' SER . . . -59.63 -22.72 62.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.457 ' HB3' HD22 ' A' ' 91' ' ' ASN . . . -91.47 37.87 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.414 ' HB2' ' ND2' ' A' ' 97' ' ' ASN . 0.4 OUTLIER -86.58 153.78 21.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.97 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -63.92 -36.65 84.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.306 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -81.2 -33.63 32.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.108 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.468 ' O ' HD12 ' A' ' 101' ' ' LEU . 63.9 m-20 -72.16 -19.69 61.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.29 -46.04 85.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.352 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.3 -36.93 81.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.521 ' OE2' ' CE1' ' A' ' 19' ' ' PHE . 16.3 tt0 -71.53 -42.04 68.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.268 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.553 ' HG ' ' CE2' ' A' ' 61' ' ' PHE . 0.6 OUTLIER -62.69 -32.79 73.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.56 -29.38 10.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.0 m -85.49 -38.03 19.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.992 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.602 HD13 ' CG1' ' A' ' 48' ' ' VAL . 2.3 tp . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 1.007 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 13.3 m . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.544 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -67.23 -19.81 65.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.454 ' NH2' ' O ' ' A' ' 64' ' ' TYR . 17.4 mtp180 -109.75 -159.11 0.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.503 ' O ' ' CB ' ' A' ' 92' ' ' ALA . 3.5 m 60.54 124.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 110.044 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.448 HG12 ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -123.66 125.33 71.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 109.301 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.562 ' CE2' ' HG3' ' A' ' 100' ' ' GLU . 2.0 t80 -77.6 129.23 35.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.813 HG12 HD11 ' A' ' 23' ' ' ILE . 2.6 t -123.75 132.97 70.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -142.39 -173.72 14.47 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.526 1.141 . . . . 0.0 110.967 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.435 ' ND2' ' O ' ' A' ' 86' ' ' ALA . 6.0 t30 61.24 24.92 14.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 0.773 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.813 HD11 HG12 ' A' ' 20' ' ' VAL . 2.4 mt -96.94 114.73 65.1 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 178.86 6.69 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.476 1.777 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -73.9 -5.87 43.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -86.02 -9.73 56.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.336 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.513 ' HB3' HG22 ' A' ' 23' ' ' ILE . . . -118.43 99.11 6.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 1.027 ' O ' HD22 ' A' ' 32' ' ' LEU . 14.7 p -90.95 174.05 7.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.45 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.774 ' OE2' HD21 ' A' ' 47' ' ' LEU . 7.1 mt-10 -58.04 -30.55 66.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.334 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -61.44 -33.35 73.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -89.56 -44.79 9.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.027 HD22 ' O ' ' A' ' 28' ' ' THR . 0.2 OUTLIER -57.63 -49.35 76.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.471 ' HD2' ' CG2' ' A' ' 42' ' ' VAL . 13.3 tttp -61.92 -37.41 84.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.89 -39.58 90.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.664 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 8.5 mt -67.61 -47.55 79.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.526 ' HB3' HG11 ' A' ' 42' ' ' VAL . 3.3 m-85 -68.51 -27.78 66.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.978 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.547 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 52.0 m -62.92 -33.05 74.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.993 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -63.93 -15.85 60.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 0.0 110.273 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.956 HG11 ' CA ' ' A' ' 73' ' ' ALA . 46.7 t -105.34 7.94 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.547 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 127.96 173.2 13.4 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.451 1.094 . . . . 0.0 110.966 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 120.6 6.15 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.519 1.799 . . . . 0.0 111.037 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.625 HG12 ' CE1' ' A' ' 64' ' ' TYR . 2.5 m -85.48 122.49 38.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.566 HG23 ' HB2' ' A' ' 65' ' ' GLN . 2.0 t -56.16 -55.94 15.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.87 153.49 16.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.026 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.571 ' CE2' ' HB2' ' A' ' 62' ' ' CYS . 0.5 OUTLIER -136.29 117.9 14.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 111.015 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.845 ' C ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -121.25 130.56 53.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.323 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.845 HD13 ' C ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -115.77 167.69 10.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.257 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.076 HG21 ' CE2' ' A' ' 59' ' ' TYR . 2.9 m -86.28 121.56 37.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.546 ' HE1' HD23 ' A' ' 47' ' ' LEU . 2.8 m-85 -123.0 120.25 32.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 111.002 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 54' ' ' GLY . 5.3 m-20 -73.65 107.37 5.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -73.48 -25.94 60.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.77 -31.69 71.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.513 ' CG2' ' HB2' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -111.47 -8.82 14.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.405 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 63.13 17.86 59.58 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.528 1.143 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.513 ' HB2' ' CG2' ' A' ' 53' ' ' THR . 0.7 OUTLIER -118.18 146.24 38.88 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.558 0.799 . . . . 0.0 109.283 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . 18.3 Cg_endo -75.03 137.57 21.83 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.783 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.922 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -52.94 -58.74 5.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 141.03 -17.06 2.76 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.12 . . . . 0.0 111.032 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 1.076 ' CE2' HG21 ' A' ' 48' ' ' VAL . 37.0 p90 -125.86 157.06 38.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 0.753 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -161.56 -174.15 31.08 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.515 1.134 . . . . 0.0 111.037 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.574 ' CE2' ' HG ' ' A' ' 101' ' ' LEU . 87.2 m-85 -131.78 138.08 48.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 0.76 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.571 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 24.2 t -112.44 123.88 51.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 108.277 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -99.8 123.26 43.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.625 ' CE1' HG12 ' A' ' 42' ' ' VAL . 18.8 m-85 -101.38 -173.7 2.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.566 ' HB2' HG23 ' A' ' 43' ' ' VAL . 3.2 tp60 -110.7 -29.82 7.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -115.35 131.42 56.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -60.06 -39.95 87.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.332 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.14 -37.54 87.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 39' ' ' VAL . 72.6 m -65.75 -44.95 84.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.427 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.408 ' HB2' ' HB2' ' A' ' 64' ' ' TYR . . . -67.79 -39.4 84.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.48 HD23 ' CE ' ' A' ' 74' ' ' MET . 5.5 mt -67.8 -40.58 83.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.454 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 5.7 t -63.69 -38.63 91.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.956 ' CA ' HG11 ' A' ' 39' ' ' VAL . . . -66.87 -38.16 85.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.614 ' HG2' HG12 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -64.48 -46.08 84.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 110.978 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.41 -26.16 51.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.459 ' C ' HD12 ' A' ' 77' ' ' LEU . 1.0 OUTLIER -75.8 -36.56 59.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.251 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.562 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.4 OUTLIER -101.06 -91.06 0.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 74' ' ' MET . 2.6 t30 37.85 89.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.347 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 69.43 37.15 78.86 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.403 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -81.98 121.09 26.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 0.743 . . . . 0.0 110.269 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.4 137.48 56.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.268 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.664 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 38.1 t80 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.435 ' O ' ' ND2' ' A' ' 22' ' ' ASN . . . . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.79 HD13 HG12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -95.33 92.65 6.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.29 120.09 10.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.614 HG12 ' HG2' ' A' ' 74' ' ' MET . 24.9 t -125.66 126.08 69.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -139.24 154.93 48.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.452 ' N ' ' SD ' ' A' ' 74' ' ' MET . 0.5 OUTLIER -60.33 133.78 56.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -68.0 -14.44 62.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 1.007 ' HB2' ' O ' ' A' ' 14' ' ' SER . . . -87.49 13.5 9.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.1 m -79.02 139.32 38.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.011 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -59.97 -36.66 77.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.335 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -74.73 -33.91 62.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.624 ' O ' HD12 ' A' ' 101' ' ' LEU . 10.2 m-20 -72.55 -19.16 61.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.05 -29.72 71.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.355 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -67.23 -43.77 81.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.531 1.145 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.562 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 11.0 mm-40 -71.82 -42.99 66.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.357 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.624 HD12 ' O ' ' A' ' 97' ' ' ASN . 0.4 OUTLIER -62.1 -32.83 73.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.67 -31.65 7.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.1 t -85.84 -34.71 20.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.028 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.969 HD21 HG13 ' A' ' 48' ' ' VAL . 2.1 mm? . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 74.3 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.586 ' N ' HD22 ' A' ' 15' ' ' LEU . 1.6 mm? -69.41 -14.56 62.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -107.36 69.03 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.297 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.445 ' HB3' ' CB ' ' A' ' 92' ' ' ALA . 10.4 m -177.23 134.53 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.004 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -123.17 125.41 71.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.707 ' CD1' ' CZ ' ' A' ' 61' ' ' PHE . 14.5 t80 -80.12 129.12 34.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.972 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.931 HG13 HD11 ' A' ' 23' ' ' ILE . 0.3 OUTLIER -116.09 132.97 64.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.5 ' O ' ' CB ' ' A' ' 22' ' ' ASN . . . -156.77 160.02 30.0 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 21' ' ' GLY . 26.3 t30 81.51 36.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 0.748 . . . . 0.0 109.328 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.94 HG23 ' CD2' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -113.05 146.01 34.28 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.836 ' HD2' HG22 ' A' ' 23' ' ' ILE . 18.5 Cg_endo -75.0 -162.49 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.781 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -98.6 -24.9 14.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 111.007 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.31 -9.31 46.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.552 ' HB1' HD11 ' A' ' 32' ' ' LEU . . . -107.79 96.93 6.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.54 ' O ' HD13 ' A' ' 32' ' ' LEU . 4.6 p -89.91 174.36 7.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.401 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.407 ' OE1' ' O ' ' A' ' 45' ' ' PHE . 8.4 mt-10 -57.7 -30.75 65.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.04 -33.18 75.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.34 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -87.14 -45.14 10.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.826 ' HA ' HD12 ' A' ' 35' ' ' ILE . 11.0 mp -59.09 -49.08 79.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.882 ' HG3' HG11 ' A' ' 42' ' ' VAL . 1.9 tttt -58.0 -37.5 74.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.83 -36.79 80.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.927 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 9.6 mt -68.26 -47.89 76.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.449 ' CE2' ' HB3' ' A' ' 62' ' ' CYS . 3.9 m-85 -68.83 -33.08 73.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.537 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 69.0 m -64.8 -32.88 74.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 110.018 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.441 ' HG2' HG23 ' A' ' 39' ' ' VAL . 2.0 pt-20 -64.46 -13.2 50.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.948 HG11 ' HA ' ' A' ' 73' ' ' ALA . 7.8 t -104.98 7.12 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.537 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 141.77 -177.31 21.4 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.493 1.121 . . . . 0.0 111.059 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 116.31 4.55 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.529 1.805 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.882 HG11 ' HG3' ' A' ' 33' ' ' LYS . 3.3 t -85.94 122.34 38.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.466 ' CG2' ' HB2' ' A' ' 65' ' ' GLN . 16.6 t -77.68 -74.78 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.24 164.84 21.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 110.006 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.584 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.5 OUTLIER -165.36 113.83 1.01 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.992 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.491 ' C ' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -132.92 135.5 45.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.567 ' CD2' ' CE1' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -112.15 171.16 7.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.852 HG12 HD13 ' A' ' 104' ' ' LEU . 3.5 m -86.43 129.48 38.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.513 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 1.3 m-85 -129.6 119.72 24.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 54' ' ' GLY . 1.7 m-20 -71.04 108.44 4.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.418 ' HB3' ' NH1' ' A' ' 51' ' ' ARG . 14.5 mtp-105 -73.72 -30.5 62.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -71.45 -32.42 68.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.5 m -105.79 -4.28 21.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 110.43 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 54.22 17.45 7.91 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 3.9 mmtt -117.78 145.42 36.51 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.521 0.777 . . . . 0.0 109.263 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . 18.2 Cg_endo -74.98 137.74 22.17 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.446 1.761 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.845 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -53.73 -57.22 11.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.557 1.16 . . . . 0.0 109.273 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 138.49 -19.45 3.19 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.535 1.147 . . . . 0.0 111.022 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.776 ' O ' HG22 ' A' ' 48' ' ' VAL . 1.9 p90 -123.04 159.22 28.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.769 . . . . 0.0 110.947 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.464 ' CA ' ' HA ' ' A' ' 47' ' ' LEU . . . -158.83 -171.61 24.87 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.707 ' CZ ' ' CD1' ' A' ' 19' ' ' PHE . 84.0 m-85 -132.2 141.92 49.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 0.795 . . . . 0.0 111.014 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.584 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 36.5 t -124.35 121.33 34.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 108.28 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.427 ' HA ' ' HA ' ' A' ' 17' ' ' SER . 4.7 tt0 -100.2 123.32 44.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.466 ' CD2' ' HA ' ' A' ' 70' ' ' ALA . 18.4 m-85 -93.4 -170.41 2.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.466 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . 4.4 tt0 -113.2 -15.51 12.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.96 131.61 47.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.638 ' OE1' HD12 ' A' ' 71' ' ' LEU . 2.2 tm0? -62.32 -44.78 95.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.322 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -59.68 -37.52 79.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.5 m -67.19 -41.21 86.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.411 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.466 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . . . -67.76 -39.79 84.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.638 HD12 ' OE1' ' A' ' 67' ' ' GLN . 6.5 mt -69.2 -44.29 72.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.451 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 8.7 t -63.05 -37.68 88.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.013 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.948 ' HA ' HG11 ' A' ' 39' ' ' VAL . . . -66.89 -37.87 85.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.239 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.694 ' HG2' HG12 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -63.23 -47.29 83.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -78.19 -26.26 47.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 72' ' ' SER . 69.5 m-20 -76.94 -32.15 57.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.6 HD12 ' O ' ' A' ' 73' ' ' ALA . 1.9 mt -105.02 -90.82 0.4 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 74' ' ' MET . 2.1 t-20 37.06 88.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 75.76 38.81 35.73 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.524 1.14 . . . . 0.0 110.949 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.95 120.66 25.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -61.04 135.1 57.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.323 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.927 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 34.6 t80 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 111.037 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.94 ' CD2' HG23 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -91.69 91.01 7.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.436 ' CB ' ' O ' ' A' ' 21' ' ' GLY . 2.0 ttt180 -62.46 100.7 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 87' ' ' LEU . 24.2 t -106.48 122.85 60.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 91' ' ' ASN . 0.0 OUTLIER -140.04 139.23 35.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.525 HD22 ' HB3' ' A' ' 93' ' ' ALA . 1.9 t30 -39.06 130.17 1.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.445 ' CB ' ' HB3' ' A' ' 17' ' ' SER . . . -66.45 -21.68 66.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.525 ' HB3' HD22 ' A' ' 91' ' ' ASN . . . -89.35 41.3 1.03 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.24 150.44 20.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.978 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -36.55 84.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -81.22 -33.63 32.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.28 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.682 ' O ' HD12 ' A' ' 101' ' ' LEU . 42.1 m-20 -72.19 -21.83 61.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.28 -35.68 81.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -66.57 -39.52 88.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.506 ' HG2' ' CZ ' ' A' ' 59' ' ' TYR . 0.4 OUTLIER -71.64 -43.74 65.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.284 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.682 HD12 ' O ' ' A' ' 97' ' ' ASN . 0.4 OUTLIER -62.67 -32.87 74.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.4 tptm -56.19 -30.1 61.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.1 m -85.74 -34.14 21.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 110.007 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.852 HD13 HG12 ' A' ' 48' ' ' VAL . 6.2 tp . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.58 ' CB ' ' HB2' ' A' ' 93' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.475 HD13 HE22 ' A' ' 67' ' ' GLN . 0.8 OUTLIER -69.42 -16.74 63.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.113 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.596 ' O ' ' HB1' ' A' ' 70' ' ' ALA . 11.5 mtm-85 -95.96 -65.14 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.262 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.695 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 3.0 p -39.2 116.88 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.023 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.541 HG12 ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -111.98 125.05 69.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 109.349 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.404 ' CE1' ' OE1' ' A' ' 100' ' ' GLU . 10.7 t80 -79.36 129.93 34.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.97 HG12 HD11 ' A' ' 23' ' ' ILE . 12.4 t -117.89 132.96 66.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -135.57 -175.67 13.96 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 65.0 t30 60.58 26.71 16.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 109.269 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.998 HD13 HD21 ' A' ' 32' ' ' LEU . 2.0 mt -98.82 118.15 63.37 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 179.65 5.87 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.479 1.779 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -74.53 -11.19 60.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -83.62 -9.7 58.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.33 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.711 ' HB3' HG22 ' A' ' 23' ' ' ILE . . . -110.79 96.06 5.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.1 p -90.13 173.94 7.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.402 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.814 ' CG ' HD11 ' A' ' 47' ' ' LEU . 4.6 mt-10 -57.7 -30.49 65.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 110.317 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -63.1 -32.96 74.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -87.61 -46.19 9.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.998 HD21 HD13 ' A' ' 23' ' ' ILE . 10.0 mp -58.29 -49.72 76.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.84 ' HG3' HG11 ' A' ' 42' ' ' VAL . 4.3 ttmt -58.18 -37.45 74.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.26 -35.63 78.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.919 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 11.1 mt -67.86 -48.67 74.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.671 ' CE2' HG21 ' A' ' 20' ' ' VAL . 0.8 OUTLIER -69.75 -29.74 67.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.993 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.434 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 97.5 p -63.16 -33.03 74.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.963 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.42 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 12.9 tt0 -64.45 -12.38 42.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.941 HG11 ' HA ' ' A' ' 73' ' ' ALA . 2.5 t -103.78 7.43 9.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.434 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 132.11 -171.41 21.43 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 113.46 3.8 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.467 1.772 . . . . 0.0 110.989 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.84 HG11 ' HG3' ' A' ' 33' ' ' LYS . 4.5 p -85.87 122.14 38.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.456 ' CG2' ' C ' ' A' ' 64' ' ' TYR . 84.4 t -65.52 -70.54 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 t -151.83 160.85 43.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.005 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.591 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.7 OUTLIER -142.91 115.98 8.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.701 ' C ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -117.1 134.36 54.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.292 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.814 HD11 ' CG ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -123.17 168.63 12.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.018 HG12 HD13 ' A' ' 104' ' ' LEU . 4.0 m -86.12 121.4 37.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.632 ' CE1' HD23 ' A' ' 47' ' ' LEU . 1.3 m-85 -125.07 119.18 27.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.97 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 54' ' ' GLY . 0.2 OUTLIER -72.16 108.99 5.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.5 mtt85 -73.02 -29.98 63.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.265 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.95 -32.0 68.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.28 -3.27 19.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.384 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 50.96 19.46 3.57 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.456 1.098 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 0.2 OUTLIER -118.01 144.97 35.75 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.509 0.77 . . . . 0.0 109.321 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.555 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 18.3 Cg_endo -74.97 137.6 22.01 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.477 1.778 . . . . 0.0 111.011 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.879 ' HB2' HG23 ' A' ' 48' ' ' VAL . 3.9 mmtt -56.97 -58.27 8.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 137.17 -15.64 3.7 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.536 1.147 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.998 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 52.6 p90 -125.85 158.02 36.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 0.749 . . . . 0.0 111.02 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.408 ' HA3' ' HA ' ' A' ' 47' ' ' LEU . . . -169.12 -170.73 34.07 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.133 . . . . 0.0 110.994 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.572 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 55.2 m-85 -131.96 137.26 47.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 0.781 . . . . 0.0 110.925 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.591 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 7.9 t -113.51 122.34 46.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 108.297 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -99.24 127.85 45.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 110.283 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.459 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 7.3 m-85 -97.36 -169.68 1.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 110.979 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.446 ' N ' HG23 ' A' ' 43' ' ' VAL . 9.1 tt0 -105.88 -20.03 13.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -135.83 132.68 36.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.475 HE22 HD13 ' A' ' 15' ' ' LEU . 7.2 tt0 -57.2 -37.5 72.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.311 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -38.12 89.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.1 m -68.05 -41.79 81.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.411 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.596 ' HB1' ' O ' ' A' ' 16' ' ' ARG . . . -68.06 -39.43 82.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 mt -69.25 -43.59 73.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.143 . . . . 0.0 109.317 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.453 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 3.9 m -63.13 -38.39 90.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.043 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.941 ' HA ' HG11 ' A' ' 39' ' ' VAL . . . -66.66 -38.14 86.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.712 ' HG2' HG12 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -62.98 -47.1 84.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 111.018 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 45.0 ttt-85 -77.72 -25.38 49.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 72' ' ' SER . 1.0 OUTLIER -76.83 -32.92 57.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.332 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.687 HD11 HG21 ' A' ' 39' ' ' VAL . 6.8 mp -106.41 -92.54 0.39 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.525 ' CB ' ' O ' ' A' ' 74' ' ' MET . 2.4 t30 37.35 86.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.82 35.73 24.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.442 1.089 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.595 HH21 HG23 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -87.4 121.09 29.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 0.79 . . . . 0.0 110.316 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.24 140.7 55.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.919 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 40.1 t80 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 111.023 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.804 HD23 ' CG1' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -92.09 91.67 7.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.13 98.95 0.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.338 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.712 HG12 ' HG2' ' A' ' 74' ' ' MET . 46.0 t -106.87 120.89 58.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.45 ' N ' ' OD1' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -141.8 154.17 45.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.439 HD22 ' HB3' ' A' ' 93' ' ' ALA . 0.8 OUTLIER -45.91 117.77 1.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.695 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -62.66 -13.49 32.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.58 ' HB2' ' CB ' ' A' ' 14' ' ' SER . . . -98.91 36.44 1.69 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.68 154.97 28.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.975 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -67.94 -36.62 80.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -77.45 -33.74 54.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.784 ' OD1' HD12 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -69.74 -16.33 63.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -30.37 68.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 109.31 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.69 -39.46 73.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.404 ' OE1' ' CE1' ' A' ' 19' ' ' PHE . 7.1 mt-10 -72.34 -44.09 63.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.784 HD12 ' OD1' ' A' ' 97' ' ' ASN . 3.2 mt -61.24 -37.98 84.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -44.84 -30.99 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.83 -36.47 20.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.953 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 1.018 HD13 HG12 ' A' ' 48' ' ' VAL . 2.4 tp . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.47 ' HB3' ' CG ' ' A' ' 67' ' ' GLN . 0.2 OUTLIER -69.34 -15.99 63.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.544 ' O ' ' HB1' ' A' ' 70' ' ' ALA . 30.0 mtp180 -100.86 -66.1 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.525 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 19.5 m -36.56 114.67 0.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.981 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.434 ' HB ' ' CG1' ' A' ' 89' ' ' VAL . 0.0 OUTLIER -111.04 124.96 68.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.482 ' CE1' ' HB2' ' A' ' 59' ' ' TYR . 26.5 t80 -75.9 129.07 36.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 111.029 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.756 HG12 HD11 ' A' ' 23' ' ' ILE . 2.2 t -113.57 133.26 60.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -137.73 -176.08 14.25 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.55 1.156 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 31.1 t30 63.02 21.74 13.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 0.0 109.271 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.756 HD11 HG12 ' A' ' 20' ' ' VAL . 3.3 mt -95.48 114.43 63.88 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 109.343 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 175.55 11.08 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.492 1.785 . . . . 0.0 110.95 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -72.48 -3.1 22.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.961 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -91.54 -9.71 43.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.454 ' HB1' HD11 ' A' ' 32' ' ' LEU . . . -119.13 100.25 7.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.974 ' O ' HD22 ' A' ' 32' ' ' LEU . 10.4 p -90.53 174.28 7.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.167 . . . . 0.0 110.411 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.724 ' HG3' HD11 ' A' ' 47' ' ' LEU . 2.9 mt-10 -57.97 -29.93 65.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -60.5 -33.64 72.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -90.25 -45.15 9.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.974 HD22 ' O ' ' A' ' 28' ' ' THR . 0.2 OUTLIER -56.98 -48.86 77.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.866 ' HG3' HG11 ' A' ' 42' ' ' VAL . 3.1 ttpm? -61.29 -37.83 84.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -64.99 -39.98 94.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.929 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 6.6 mt -68.16 -46.34 81.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.594 ' CE1' HD13 ' A' ' 77' ' ' LEU . 3.6 m-85 -67.4 -29.25 68.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.568 ' HA ' HG23 ' A' ' 42' ' ' VAL . 52.8 p -63.24 -38.15 90.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.027 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -64.75 -12.31 45.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.917 HG11 ' HA ' ' A' ' 73' ' ' ALA . 2.0 t -103.77 7.52 9.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.454 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 136.58 -177.78 19.38 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 122.9 7.52 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.792 . . . . 0.0 110.999 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.866 HG11 ' HG3' ' A' ' 33' ' ' LYS . 50.0 t -89.53 122.44 40.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.7 HG11 ' OE2' ' A' ' 63' ' ' GLU . 3.1 t -80.04 -68.71 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.437 1.086 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.418 ' N ' HG12 ' A' ' 43' ' ' VAL . 0.1 OUTLIER -135.42 169.81 16.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.972 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.589 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.6 OUTLIER -171.07 113.63 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.9 mmt85 -130.84 134.0 46.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 110.256 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.724 HD11 ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -110.61 167.34 10.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.038 HG12 HD13 ' A' ' 104' ' ' LEU . 3.7 m -86.48 121.41 37.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.57 ' HE2' HD13 ' A' ' 47' ' ' LEU . 1.2 m-85 -123.45 119.12 29.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 111.049 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 54' ' ' GLY . 73.8 m-20 -70.88 108.65 4.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 -73.22 -29.85 63.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.286 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -70.92 -32.18 69.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.36 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.467 HG22 ' CD ' ' A' ' 55' ' ' LYS . 5.3 m -106.76 -4.51 19.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.413 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 54.53 17.07 7.89 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.467 ' CD ' HG22 ' A' ' 53' ' ' THR . 4.3 mttp -118.0 145.44 36.82 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.531 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . 18.4 Cg_endo -75.02 137.73 22.05 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.466 1.772 . . . . 0.0 111.03 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.861 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -54.29 -57.65 10.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 139.17 -16.82 3.19 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.473 1.108 . . . . 0.0 111.044 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.949 ' CE2' HG21 ' A' ' 48' ' ' VAL . 40.8 p90 -125.54 156.95 38.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.567 0.804 . . . . 0.0 110.98 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -158.02 -171.08 23.5 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.451 1.095 . . . . 0.0 111.03 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.577 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 96.5 m-85 -132.48 137.91 47.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 0.0 111.014 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.589 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 38.7 t -118.77 120.51 37.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 108.308 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.7 ' OE2' HG11 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -100.29 123.36 44.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.767 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 32.1 m-85 -98.33 -170.53 1.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 111.03 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.411 ' CG ' ' N ' ' A' ' 66' ' ' ASP . 9.9 pt20 -100.54 -43.18 6.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.411 ' N ' ' CG ' ' A' ' 65' ' ' GLN . 0.2 OUTLIER -101.82 140.1 36.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.47 ' CG ' ' HB3' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -64.86 -48.15 75.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -60.92 -37.17 81.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 87.4 m -66.64 -42.35 86.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.434 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.767 ' HB2' ' HB2' ' A' ' 64' ' ' TYR . . . -68.14 -39.7 82.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.603 HD23 ' CE ' ' A' ' 74' ' ' MET . 0.3 OUTLIER -69.61 -40.95 76.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.449 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 24.0 p -67.77 -37.94 82.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.994 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.923 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -66.72 -37.34 84.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.603 ' CE ' HD23 ' A' ' 71' ' ' LEU . 0.3 OUTLIER -66.36 -46.79 75.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.442 ' N ' ' HG2' ' A' ' 74' ' ' MET . 0.0 OUTLIER -76.75 -27.02 55.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.3 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 72' ' ' SER . 74.1 m-20 -77.34 -35.75 54.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.923 HD12 ' O ' ' A' ' 73' ' ' ALA . 1.2 mt -86.19 -40.82 15.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.57 1.169 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.468 ' CB ' ' O ' ' A' ' 74' ' ' MET . 11.3 t-20 -53.97 90.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . 115.25 23.06 4.64 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.469 1.105 . . . . 0.0 110.996 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -106.12 120.46 41.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 0.796 . . . . 0.0 110.283 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -71.05 138.61 49.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.929 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 39.8 t80 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.41 ' O ' ' O ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -109.04 99.27 8.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.334 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 20.5 mtp180 -88.61 122.78 32.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.558 HG21 ' HB2' ' A' ' 77' ' ' LEU . 6.5 t -125.63 127.91 71.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -139.04 146.6 41.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.726 HD22 ' HB3' ' A' ' 93' ' ' ALA . 1.4 t30 -42.0 128.83 3.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -70.06 -8.12 46.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.726 ' HB3' HD22 ' A' ' 91' ' ' ASN . . . -92.31 26.97 2.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.422 ' HB2' ' ND2' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -79.87 152.02 29.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.025 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.436 ' CA ' ' OE1' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -59.98 -36.66 77.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.351 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.25 -33.48 32.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.838 ' O ' HD12 ' A' ' 101' ' ' LEU . 78.8 m-20 -72.0 -19.79 61.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.74 -46.18 72.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -62.0 -35.74 79.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.547 ' HG2' ' CE2' ' A' ' 59' ' ' TYR . 1.2 tp10 -71.56 -42.65 67.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.838 HD12 ' O ' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -62.8 -32.95 74.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.3 mttp -51.74 -29.05 17.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.5 t -85.58 -38.15 18.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.979 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 1.038 HD13 HG12 ' A' ' 48' ' ' VAL . 2.8 tp . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.508 ' HB3' ' HB2' ' A' ' 93' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.734 HD13 ' NE2' ' A' ' 67' ' ' GLN . 2.2 mt -70.21 -13.1 62.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.0 mtm-85 -105.11 49.33 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.254 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.577 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 12.2 p -168.4 120.57 0.82 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.985 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.545 HG12 ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -116.14 125.8 73.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.557 ' CZ ' ' OE1' ' A' ' 100' ' ' GLU . 30.7 t80 -79.19 129.13 34.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.807 HG12 HD11 ' A' ' 23' ' ' ILE . 2.1 t -116.45 133.0 64.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -146.16 -174.83 18.67 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.532 HD22 ' HB3' ' A' ' 86' ' ' ALA . 50.4 t30 59.84 29.42 18.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 0.748 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.807 HD11 HG12 ' A' ' 20' ' ' VAL . 1.6 mt -101.52 141.4 22.52 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.631 ' HD2' HG22 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.01 -162.56 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.495 1.787 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -93.92 -32.44 13.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 111.033 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.32 -9.59 48.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.272 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.683 ' HB3' HG22 ' A' ' 23' ' ' ILE . . . -100.8 91.71 4.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.4 p -90.11 174.15 7.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.364 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.46 ' HG3' ' CD2' ' A' ' 47' ' ' LEU . 20.5 mt-10 -57.84 -31.07 66.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.281 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.45 -33.63 75.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -83.87 -44.68 14.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.934 ' HA ' HD12 ' A' ' 35' ' ' ILE . 17.6 mt -58.25 -49.04 78.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.848 ' HG3' HG11 ' A' ' 42' ' ' VAL . 9.4 tttt -58.05 -37.95 75.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.89 -35.8 80.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.934 HD12 ' HA ' ' A' ' 32' ' ' LEU . 9.8 mt -68.12 -48.38 74.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.424 ' HD1' ' HH ' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -69.21 -29.5 67.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 111.036 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.45 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 76.9 p -63.0 -37.14 85.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.995 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.405 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 13.1 tp10 -71.09 -12.65 61.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.726 HG11 ' HA ' ' A' ' 73' ' ' ALA . 2.1 t -104.43 7.11 10.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.45 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 135.0 -177.32 19.41 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.491 1.12 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.437 ' HD2' HG21 ' A' ' 69' ' ' THR . 18.3 Cg_endo -75.0 122.89 7.49 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.446 1.761 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.848 HG11 ' HG3' ' A' ' 33' ' ' LYS . 12.9 p -101.21 122.52 53.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.484 ' CG2' ' HB2' ' A' ' 65' ' ' GLN . 46.5 t -67.86 -72.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.99 164.19 30.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.984 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.591 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.6 OUTLIER -151.55 114.28 4.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 111.022 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -124.66 133.19 53.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.823 HD11 ' CE2' ' A' ' 49' ' ' TYR . 4.4 pp -120.27 177.74 4.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.985 HG21 ' CE2' ' A' ' 59' ' ' TYR . 2.7 m -86.41 121.62 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.823 ' CE2' HD11 ' A' ' 47' ' ' LEU . 1.2 m-85 -123.28 119.76 31.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 54' ' ' GLY . 1.9 m-20 -74.1 109.24 7.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.4 mtt85 -72.46 -29.14 63.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -70.51 -32.14 69.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.345 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.2 m -107.54 -4.54 18.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.419 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 54.33 16.92 7.27 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.514 1.133 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 11.7 mmtt -118.12 146.22 38.75 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.749 . . . . 0.0 109.361 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.576 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 18.3 Cg_endo -75.0 137.39 21.66 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.473 1.775 . . . . 0.0 110.94 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.824 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -52.54 -58.16 7.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 141.81 -17.65 2.59 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.546 1.154 . . . . 0.0 111.038 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.985 ' CE2' HG21 ' A' ' 48' ' ' VAL . 33.4 p90 -125.68 156.68 38.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 0.736 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.482 ' HA3' ' CB ' ' A' ' 47' ' ' LEU . . . -165.94 -170.28 30.66 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.512 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 81.2 m-85 -132.37 138.24 47.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 0.755 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.591 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 13.0 t -116.15 122.6 45.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 108.337 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.426 ' OE2' HG11 ' A' ' 43' ' ' VAL . 3.4 tm-20 -99.47 126.11 45.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.655 ' CE1' HG22 ' A' ' 69' ' ' THR . 3.3 m-85 -96.51 -172.54 2.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.484 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -112.81 -18.7 12.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.266 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.24 134.07 53.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.734 ' NE2' HD13 ' A' ' 15' ' ' LEU . 3.9 mt-30 -64.28 -37.52 87.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -68.95 -37.39 78.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.655 HG22 ' CE1' ' A' ' 64' ' ' TYR . 97.4 m -66.66 -40.52 88.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.421 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.72 -40.62 84.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.5 mt -69.97 -41.87 73.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.456 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 6.3 t -64.83 -38.02 89.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.975 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.726 ' HA ' HG11 ' A' ' 39' ' ' VAL . . . -66.49 -38.86 88.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.727 ' HG2' HG12 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -63.13 -47.28 83.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 111.001 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -77.8 -25.19 48.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 72' ' ' SER . 46.5 m-20 -74.91 -35.64 62.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.695 HD11 HG21 ' A' ' 39' ' ' VAL . 1.4 mt -104.06 -91.86 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.529 ' CB ' ' O ' ' A' ' 74' ' ' MET . 1.4 t-20 35.8 86.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.35 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 83.21 34.74 19.87 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.54 120.63 27.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 110.332 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -58.53 143.1 47.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.643 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 4.5 t80 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.532 ' HB3' HD22 ' A' ' 22' ' ' ASN . . . . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.862 HD11 ' CD2' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -97.31 86.9 4.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.403 ' O ' ' HA ' ' A' ' 20' ' ' VAL . 7.3 ttt180 -70.45 97.42 1.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.727 HG12 ' HG2' ' A' ' 74' ' ' MET . 42.5 t -105.05 122.5 58.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.442 ' N ' ' OD1' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -140.17 137.28 34.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.714 HD22 ' HB3' ' A' ' 93' ' ' ALA . 1.4 t30 -39.98 126.04 2.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -66.95 -10.42 49.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.714 ' HB3' HD22 ' A' ' 91' ' ' ASN . . . -91.62 25.28 2.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.87 149.59 30.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.995 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.1 -35.82 82.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.0 -33.89 33.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.772 ' O ' HD12 ' A' ' 101' ' ' LEU . 20.4 m-20 -72.33 -20.11 61.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 7.2 ttpt -64.34 -40.08 95.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.95 -35.5 80.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.261 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.557 ' OE1' ' CZ ' ' A' ' 19' ' ' PHE . 3.5 mt-10 -71.69 -43.34 66.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.772 HD12 ' O ' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -63.25 -32.47 73.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.21 -28.34 40.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.0 m -85.4 -36.21 20.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.978 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.631 HD13 ' CG1' ' A' ' 48' ' ' VAL . 2.8 tp . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.454 HD13 ' NE2' ' A' ' 67' ' ' GLN . 10.2 mt -78.3 -10.89 59.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.502 ' O ' ' CB ' ' A' ' 17' ' ' SER . 5.9 ttm180 -98.39 79.47 2.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.323 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' A' ' 92' ' ' ALA . 1.6 m 159.76 124.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.022 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.637 HG12 ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -117.08 124.93 73.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.596 ' CD1' ' OD2' ' A' ' 90' ' ' ASP . 2.1 t80 -78.62 129.87 35.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.846 HG12 HD11 ' A' ' 23' ' ' ILE . 5.1 t -114.09 132.68 62.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -132.68 -177.25 14.81 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.464 1.102 . . . . 0.0 110.983 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 60.13 26.88 16.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 0.749 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 1.009 HD13 HD11 ' A' ' 32' ' ' LEU . 1.9 mt -99.09 114.39 65.48 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 178.5 7.17 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.541 1.811 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -73.41 -3.68 28.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.76 -9.86 42.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.618 ' HB3' HG22 ' A' ' 23' ' ' ILE . . . -114.97 96.39 5.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.9 p -90.57 174.43 7.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.417 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.797 ' HG3' HD11 ' A' ' 47' ' ' LEU . 47.8 mt-10 -57.85 -30.5 65.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -33.49 75.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 110.302 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -86.85 -45.71 10.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.319 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.009 HD11 HD13 ' A' ' 23' ' ' ILE . 19.2 mt -58.15 -49.36 77.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.86 -37.86 74.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.21 -37.37 87.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.953 HD12 ' HA ' ' A' ' 32' ' ' LEU . 7.2 mt -68.26 -47.69 76.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.303 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.516 ' CD1' ' OH ' ' A' ' 64' ' ' TYR . 0.3 OUTLIER -68.79 -28.21 66.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.153 . . . . 0.0 111.011 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.473 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 55.6 p -62.33 -36.12 81.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.985 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 9.3 tp10 -71.23 -13.12 61.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 110.304 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.742 HG11 ' HA ' ' A' ' 73' ' ' ALA . 1.5 t -105.0 7.32 10.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.473 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 133.83 -178.2 18.5 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.507 1.129 . . . . 0.0 110.961 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.42 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 18.3 Cg_endo -75.04 130.69 13.47 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.457 1.767 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.458 ' CG1' ' SG ' ' A' ' 62' ' ' CYS . 6.1 t -104.15 130.72 54.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.687 HG11 ' OE2' ' A' ' 63' ' ' GLU . 77.4 t -81.53 -75.99 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.453 ' N ' ' OE1' ' A' ' 63' ' ' GLU . 0.1 OUTLIER -132.62 168.94 17.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.986 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.595 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.7 OUTLIER -162.26 114.19 1.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.8 137.62 50.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.326 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.797 HD11 ' HG3' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -116.56 176.2 5.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.021 HG13 HD21 ' A' ' 104' ' ' LEU . 2.5 m -86.37 121.8 37.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.333 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 1.3 m-85 -123.84 120.02 31.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 54' ' ' GLY . 17.2 m-20 -74.14 109.4 7.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.7 mtp85 -72.7 -29.97 63.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.137 . . . . 0.0 110.361 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.86 -28.68 64.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.324 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.9 p -111.04 -3.17 15.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 110.392 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 51.57 18.82 4.06 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -117.99 145.88 37.81 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.513 0.773 . . . . 0.0 109.248 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . 18.3 Cg_endo -75.04 137.56 21.79 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.524 1.802 . . . . 0.0 111.035 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.861 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -54.41 -58.17 8.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 142.32 -24.43 2.36 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.868 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 52.7 p90 -120.47 156.89 30.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 0.747 . . . . 0.0 111.01 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.606 ' HA3' HD23 ' A' ' 47' ' ' LEU . . . -159.19 -169.54 22.65 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.521 1.138 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.576 ' CE2' ' HG ' ' A' ' 101' ' ' LEU . 76.0 m-85 -132.4 137.59 47.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 0.788 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.595 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 19.4 t -113.23 117.91 33.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.154 . . . . 0.0 108.259 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.687 ' OE2' HG11 ' A' ' 43' ' ' VAL . 0.2 OUTLIER -98.59 132.04 44.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.335 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.516 ' OH ' ' CD1' ' A' ' 36' ' ' PHE . 12.4 m-85 -107.14 -177.74 3.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 111.047 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.488 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -99.85 -12.95 19.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.338 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -135.83 130.58 34.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.454 ' NE2' HD13 ' A' ' 15' ' ' LEU . 8.1 tt0 -60.53 -40.7 92.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.273 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.456 ' HA ' HD23 ' A' ' 71' ' ' LEU . 8.0 tt0 -59.83 -38.09 81.05 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.468 HG22 ' CE2' ' A' ' 64' ' ' TYR . 93.2 m -66.86 -43.45 83.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 110.427 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.78 -39.37 90.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.526 ' C ' HD12 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -68.22 -48.07 66.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.445 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 3.8 t -59.68 -37.28 78.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.977 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.742 ' HA ' HG11 ' A' ' 39' ' ' VAL . . . -66.14 -38.35 87.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.637 ' HG3' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -62.85 -47.14 84.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 111.02 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 23.8 ttt-85 -77.66 -25.72 49.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 72' ' ' SER . 46.8 m-20 -77.22 -31.76 55.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.598 HD11 HG21 ' A' ' 39' ' ' VAL . 2.7 mt -106.45 -92.19 0.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 74' ' ' MET . 1.6 t-20 37.72 83.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.18 38.52 12.88 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.474 1.109 . . . . 0.0 111.039 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.89 121.04 27.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 0.753 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.56 136.13 57.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 110.256 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.786 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 14.8 t80 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 110.985 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.712 ' O ' HG23 ' A' ' 89' ' ' VAL . 8.5 mt -93.79 93.59 8.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.96 101.46 0.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.572 1.17 . . . . 0.0 110.356 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 87' ' ' LEU . 4.4 t -106.31 126.13 61.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.596 ' OD2' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -138.4 155.38 48.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.451 ' O ' ' ND2' ' A' ' 97' ' ' ASN . 0.1 OUTLIER -63.81 128.91 37.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -61.23 -14.91 29.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -89.7 20.98 3.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.5 145.14 33.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.004 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 96' ' ' LYS . 10.2 pt-20 -59.85 -36.63 77.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.344 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.4 ' N ' ' HG3' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -79.64 -33.78 41.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.097 . . . . 0.0 109.28 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.672 ' O ' HD12 ' A' ' 101' ' ' LEU . 51.7 m-20 -72.37 -19.45 61.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.254 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -63.72 -45.89 87.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -61.43 -37.01 81.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.431 ' OE1' ' CE1' ' A' ' 59' ' ' TYR . 11.6 mm-40 -71.72 -42.15 67.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.672 HD12 ' O ' ' A' ' 97' ' ' ASN . 0.4 OUTLIER -62.28 -32.83 73.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.35 -29.61 24.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.63 -29.63 23.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.017 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 1.021 HD21 HG13 ' A' ' 48' ' ' VAL . 3.9 mm? . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.46 ' CB ' ' CD ' ' A' ' 67' ' ' GLN . 0.4 OUTLIER -69.85 -14.47 62.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.481 ' O ' ' HB1' ' A' ' 70' ' ' ALA . 26.1 mtp180 -95.41 -67.25 0.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.606 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 60.8 m -37.0 118.54 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.056 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.492 HG12 ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -111.72 125.68 69.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.414 ' HB3' ' ND2' ' A' ' 97' ' ' ASN . 3.0 t80 -78.06 129.81 35.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.933 HG22 HD11 ' A' ' 23' ' ' ILE . 0.6 OUTLIER -116.2 133.41 62.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -157.86 176.33 34.95 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.547 1.155 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.44 ' O ' ' ND2' ' A' ' 22' ' ' ASN . 4.8 t30 72.82 22.67 3.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 0.776 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.961 HD13 HD21 ' A' ' 32' ' ' LEU . 2.0 mt -101.88 140.96 21.64 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.59 ' HD2' HG22 ' A' ' 23' ' ' ILE . 18.4 Cg_endo -74.98 -162.32 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.462 1.769 . . . . 0.0 111.018 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -96.01 -5.73 40.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.16 -9.63 44.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.892 ' HB3' HG22 ' A' ' 23' ' ' ILE . . . -110.3 96.1 6.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.507 ' O ' HD13 ' A' ' 32' ' ' LEU . 15.2 p -90.38 173.75 7.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 110.401 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.506 ' HG3' HD23 ' A' ' 47' ' ' LEU . 8.0 mt-10 -58.11 -31.3 67.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.133 . . . . 0.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.68 -33.86 74.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.276 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.451 ' HB3' ' CZ ' ' A' ' 82' ' ' PHE . 5.9 mt-30 -83.89 -44.79 13.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.977 ' HA ' HD12 ' A' ' 35' ' ' ILE . 5.8 mp -58.04 -49.15 77.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.962 ' HG3' HG21 ' A' ' 42' ' ' VAL . 1.6 ttpt -56.4 -38.27 71.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.94 -37.85 87.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.977 HD12 ' HA ' ' A' ' 32' ' ' LEU . 7.1 mt -68.02 -47.69 77.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -68.28 -27.88 66.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.536 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -61.76 -33.03 73.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.06 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -67.93 -12.16 60.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.925 HG11 ' HA ' ' A' ' 73' ' ' ALA . 37.1 t -103.82 -10.98 9.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.536 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 149.66 176.55 22.93 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.448 1.093 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 118.3 5.21 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.783 . . . . 0.0 110.948 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.962 HG21 ' HG3' ' A' ' 33' ' ' LYS . 33.5 m -85.67 122.35 38.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.612 HG23 ' HB2' ' A' ' 65' ' ' GLN . 3.0 t -63.26 -68.83 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.415 ' N ' HG12 ' A' ' 43' ' ' VAL . 1.5 m -135.77 166.24 23.75 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.443 1.089 . . . . 0.0 110.022 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.451 ' CZ ' ' HB2' ' A' ' 62' ' ' CYS . 0.7 OUTLIER -161.95 112.95 1.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 110.952 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.44 ' CA ' ' OE2' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -132.48 128.18 36.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.287 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.877 HD11 ' CD2' ' A' ' 49' ' ' TYR . 0.5 OUTLIER -108.5 177.49 4.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.267 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.912 HG21 ' CE2' ' A' ' 59' ' ' TYR . 3.4 m -88.44 121.62 38.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.877 ' CD2' HD11 ' A' ' 47' ' ' LEU . 1.0 OUTLIER -120.58 119.63 33.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.953 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 54' ' ' GLY . 1.5 m-20 -75.77 109.75 9.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.12 -27.94 62.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.122 . . . . 0.0 110.318 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.75 -32.03 70.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.461 HG22 ' CD ' ' A' ' 55' ' ' LYS . 3.2 m -109.27 -5.4 15.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.087 . . . . 0.0 110.415 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 56.17 14.5 8.53 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.461 ' CD ' HG22 ' A' ' 53' ' ' THR . 3.2 mttp -118.81 145.52 37.96 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.495 0.762 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.578 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 18.3 Cg_endo -75.01 137.87 22.26 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.46 1.768 . . . . 0.0 110.976 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.783 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -52.04 -56.12 16.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.252 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 142.35 -13.84 2.52 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.127 . . . . 0.0 110.969 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.912 ' CE2' HG21 ' A' ' 48' ' ' VAL . 1.6 p90 -125.56 159.37 32.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.761 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.471 ' CA ' ' HA ' ' A' ' 47' ' ' LEU . . . -163.45 -170.25 28.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.573 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 92.5 m-85 -132.34 137.59 47.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 110.994 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.451 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 34.9 t -121.2 122.11 39.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 108.319 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -100.52 123.53 44.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.503 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 9.3 m-85 -91.14 -175.29 4.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.612 ' HB2' HG23 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -106.74 -15.84 14.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.44 134.27 43.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.46 ' CD ' ' CB ' ' A' ' 15' ' ' LEU . 3.0 mt-30 -58.89 -46.57 87.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.28 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -59.91 -37.03 78.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.342 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.459 HG22 ' CE1' ' A' ' 64' ' ' TYR . 85.2 m -66.5 -42.24 87.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.352 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.503 ' HB2' ' HB2' ' A' ' 64' ' ' TYR . . . -67.91 -40.17 83.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.505 HD23 ' HE3' ' A' ' 74' ' ' MET . 3.7 mt -69.27 -40.55 77.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.427 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 93.6 p -64.23 -38.59 91.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.011 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.925 ' HA ' HG11 ' A' ' 39' ' ' VAL . . . -67.05 -38.5 85.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.616 ' HG2' HG12 ' A' ' 89' ' ' VAL . 0.5 OUTLIER -62.3 -48.03 81.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.59 -26.24 50.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 72' ' ' SER . 20.4 m-20 -78.22 -20.67 51.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.63 ' O ' ' C ' ' A' ' 78' ' ' ASN . 27.2 mt -113.54 -91.95 0.49 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.63 ' C ' ' O ' ' A' ' 77' ' ' LEU . 22.1 p-10 19.71 87.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 97.11 22.57 17.01 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.516 1.135 . . . . 0.0 111.041 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -84.3 119.78 25.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 0.724 . . . . 0.0 110.326 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -64.46 140.49 58.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.34 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.727 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 30.4 t80 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.5 HD21 HG23 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -100.49 96.95 7.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -73.5 117.2 14.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.616 HG12 ' HG2' ' A' ' 74' ' ' MET . 62.1 t -125.53 122.24 62.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.425 1.078 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.71 154.07 46.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.635 HD22 ' HB3' ' A' ' 93' ' ' ALA . 1.0 OUTLIER -47.61 121.28 3.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.33 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.606 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -63.81 -12.12 33.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.635 ' HB3' HD22 ' A' ' 91' ' ' ASN . . . -90.93 24.06 2.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.428 ' HB2' ' ND2' ' A' ' 97' ' ' ASN . 2.9 m -79.78 153.77 28.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 109.993 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -67.59 -33.35 74.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.327 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.19 -33.81 32.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.638 ' O ' HD12 ' A' ' 101' ' ' LEU . 88.4 m-20 -72.31 -19.85 61.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -64.25 -37.35 87.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.425 ' N ' ' HG3' ' A' ' 98' ' ' LYS . 8.8 mt-10 -63.36 -35.25 79.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.253 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.595 ' OE2' ' CE2' ' A' ' 59' ' ' TYR . 4.2 mm-40 -71.71 -43.25 66.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.638 HD12 ' O ' ' A' ' 97' ' ' ASN . 0.4 OUTLIER -62.9 -33.17 74.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -50.6 -28.91 9.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.55 -33.07 21.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.002 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.768 HD13 HG12 ' A' ' 48' ' ' VAL . 2.1 tp . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.157 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.573 HD23 HE21 ' A' ' 67' ' ' GLN . 6.7 mp -69.58 -13.31 62.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.483 ' O ' ' CG ' ' A' ' 63' ' ' GLU . 13.5 mtm-85 -106.09 40.07 1.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.547 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 1.2 p -154.27 130.91 10.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.0 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.765 HG11 ' HB3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -125.57 125.62 68.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.418 ' HB3' ' ND2' ' A' ' 97' ' ' ASN . 2.4 t80 -78.43 131.36 36.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 111.038 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.816 HG12 HD11 ' A' ' 23' ' ' ILE . 2.1 t -119.14 137.85 51.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -146.02 -177.66 20.87 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.48 1.113 . . . . 0.0 111.02 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.518 HD22 ' HB3' ' A' ' 86' ' ' ALA . 8.5 t30 61.6 24.43 14.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.816 HD11 HG12 ' A' ' 20' ' ' VAL . 3.4 mt -95.45 114.45 63.92 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 178.73 6.88 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.515 1.797 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -74.9 -1.84 24.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 111.026 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.59 -9.97 42.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.312 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.44 ' HB1' HD11 ' A' ' 32' ' ' LEU . . . -124.96 100.26 6.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.937 ' O ' HD22 ' A' ' 32' ' ' LEU . 5.4 p -91.85 174.33 7.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.1 . . . . 0.0 110.401 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.555 ' HG3' HD11 ' A' ' 47' ' ' LEU . 1.7 mt-10 -57.79 -30.36 65.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.04 -33.64 73.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.333 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -89.4 -44.86 9.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.937 HD22 ' O ' ' A' ' 28' ' ' THR . 0.2 OUTLIER -57.13 -49.0 77.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.906 ' HG3' HG11 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -61.48 -37.75 84.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -65.36 -38.95 91.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.911 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 7.6 mt -68.1 -46.74 80.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 1.024 ' CE1' HD22 ' A' ' 77' ' ' LEU . 14.7 m-85 -67.76 -29.13 68.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.457 ' HA ' HG23 ' A' ' 42' ' ' VAL . 53.9 p -63.21 -33.16 74.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.005 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.41 -12.67 61.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.315 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.967 HG11 ' HA ' ' A' ' 73' ' ' ALA . 2.2 t -103.92 7.08 10.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.252 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.457 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 137.8 -178.22 19.31 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 119.67 5.73 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.484 1.781 . . . . 0.0 111.016 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.906 HG11 ' HG3' ' A' ' 33' ' ' LYS . 71.3 t -88.18 122.38 39.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.596 HG12 ' N ' ' A' ' 44' ' ' SER . 2.8 t -71.74 -77.55 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.596 ' N ' HG12 ' A' ' 43' ' ' VAL . 0.4 OUTLIER -132.33 176.66 8.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.962 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.581 ' CE1' HD21 ' A' ' 47' ' ' LEU . 0.8 OUTLIER -171.13 120.92 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.441 ' C ' HD23 ' A' ' 47' ' ' LEU . 18.4 mmt180 -138.1 135.44 35.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.28 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.581 HD21 ' CE1' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -113.29 176.89 4.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.262 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.048 HG21 ' CE2' ' A' ' 59' ' ' TYR . 3.5 m -90.7 121.44 41.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.528 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 1.2 m-85 -123.81 119.82 30.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 54' ' ' GLY . 13.3 m-20 -72.08 109.21 5.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.464 ' CZ ' ' HB2' ' A' ' 51' ' ' ARG . 28.7 mtm105 -73.05 -29.68 63.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.257 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -70.51 -30.84 67.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.328 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.4 p -109.56 -3.15 17.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.418 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 50.72 19.69 3.48 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -118.1 145.13 36.22 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.566 0.804 . . . . 0.0 109.307 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.528 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . 18.3 Cg_endo -75.0 137.63 21.98 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.512 1.796 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.875 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -57.91 -58.25 9.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 138.9 -15.73 3.29 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.506 1.129 . . . . 0.0 111.028 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 1.048 ' CE2' HG21 ' A' ' 48' ' ' VAL . 33.0 p90 -126.01 156.73 39.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 0.736 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.424 ' HA3' HD22 ' A' ' 47' ' ' LEU . . . -164.2 -174.16 33.67 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.699 ' CE1' HD23 ' A' ' 104' ' ' LEU . 30.2 m-85 -132.35 135.6 46.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 0.768 . . . . 0.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.539 ' HB2' ' CE1' ' A' ' 45' ' ' PHE . 12.2 t -106.94 152.7 23.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 108.304 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.483 ' CG ' ' O ' ' A' ' 16' ' ' ARG . 0.8 OUTLIER -119.73 123.35 43.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.262 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.533 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 4.0 m-85 -102.26 -173.78 2.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.477 ' HB2' HG23 ' A' ' 43' ' ' VAL . 9.0 tm0? -113.07 -23.39 10.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.328 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.433 ' HB2' ' CB ' ' A' ' 69' ' ' THR . 0.2 OUTLIER -124.54 134.32 53.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.573 HE21 HD23 ' A' ' 15' ' ' LEU . 2.7 tp60 -61.35 -46.27 90.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -62.54 -37.94 88.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.433 ' CB ' ' HB2' ' A' ' 66' ' ' ASP . 92.2 m -66.55 -42.2 87.51 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.115 . . . . 0.0 110.39 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.533 ' HB2' ' HB2' ' A' ' 64' ' ' TYR . . . -69.22 -39.32 78.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.639 HD23 ' CE ' ' A' ' 74' ' ' MET . 0.5 OUTLIER -69.89 -36.97 75.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.456 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 6.9 m -71.61 -41.76 68.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.014 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.967 ' HA ' HG11 ' A' ' 39' ' ' VAL . . . -68.33 -46.61 69.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.765 ' HB3' HG11 ' A' ' 18' ' ' VAL . 5.3 ptt? -67.07 -41.08 87.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.958 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.492 ' N ' ' CG ' ' A' ' 74' ' ' MET . 23.1 ttt85 -73.73 -31.2 63.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.259 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.456 ' CB ' ' O ' ' A' ' 72' ' ' SER . 41.5 m-20 -78.27 -36.74 46.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 1.024 HD22 ' CE1' ' A' ' 36' ' ' PHE . 8.5 mp -86.47 -25.91 24.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.525 ' CB ' ' O ' ' A' ' 74' ' ' MET . 1.7 t30 -57.27 88.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . 109.02 4.17 31.38 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.526 1.141 . . . . 0.0 110.957 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.0 125.41 30.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 0.0 110.249 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.28 140.27 40.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.911 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 39.1 t80 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.518 ' HB3' HD22 ' A' ' 22' ' ' ASN . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.59 HD22 HD23 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -110.13 98.2 7.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.251 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.34 89.67 7.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.282 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.502 HG21 ' CB ' ' A' ' 77' ' ' LEU . 2.0 t -106.39 124.25 61.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -140.3 140.55 35.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.801 HD22 ' HB3' ' A' ' 93' ' ' ALA . 1.8 t30 -38.71 126.96 1.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -68.99 -8.52 45.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.244 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.801 ' HB3' HD22 ' A' ' 91' ' ' ASN . . . -91.01 23.34 3.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.2 t -79.77 148.02 31.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.009 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -65.4 -32.61 74.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.142 . . . . 0.0 110.281 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 6.4 ptmt -81.12 -33.56 33.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.641 ' O ' HD12 ' A' ' 101' ' ' LEU . 83.1 m-20 -72.06 -19.59 61.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.457 ' HE2' ' CA ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -64.3 -40.45 95.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.361 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.457 ' CA ' ' HE2' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -61.55 -43.59 98.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.305 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -71.66 -35.94 70.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.258 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.641 HD12 ' O ' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -61.9 -36.34 81.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.94 -29.96 0.92 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.81 -37.93 18.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.112 . . . . 0.0 109.972 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 1.015 HD21 HG13 ' A' ' 48' ' ' VAL . 1.6 mm? . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.911 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.892 HD22 ' CD ' ' A' ' 67' ' ' GLN . 1.0 OUTLIER -68.33 -17.91 64.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.485 ' O ' ' O ' ' A' ' 17' ' ' SER . 1.0 OUTLIER -99.35 -159.74 0.76 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.268 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.529 ' O ' ' CB ' ' A' ' 92' ' ' ALA . 1.1 p 56.1 119.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.968 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.521 HG12 ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -123.8 124.94 70.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.585 ' CD1' ' OD2' ' A' ' 90' ' ' ASP . 5.0 t80 -73.65 129.41 37.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.507 HG21 ' CZ ' ' A' ' 45' ' ' PHE . 2.2 t -119.94 132.34 69.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -132.23 -173.41 13.31 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.533 1.146 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 86' ' ' ALA . 19.3 t-20 62.73 22.08 13.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 0.779 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.659 HG12 HD13 ' A' ' 87' ' ' LEU . 2.3 mt -96.92 114.36 64.48 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.403 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 18.4 Cg_endo -75.03 178.4 7.32 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.457 1.767 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.562 ' CE2' ' HD2' ' A' ' 56' ' ' PRO . 3.2 m-85 -72.85 -9.66 58.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.7 -9.67 42.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.331 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.527 ' HB3' HG22 ' A' ' 23' ' ' ILE . . . -108.2 96.31 6.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.969 ' O ' HD22 ' A' ' 32' ' ' LEU . 7.3 p -90.6 174.79 7.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.432 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.689 ' HG3' HD11 ' A' ' 47' ' ' LEU . 45.5 mt-10 -57.71 -29.46 64.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.264 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.11 -33.47 72.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -91.06 -45.13 8.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.969 HD22 ' O ' ' A' ' 28' ' ' THR . 0.2 OUTLIER -57.27 -49.16 76.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.511 ' HG3' HG11 ' A' ' 42' ' ' VAL . 6.2 ttpt -61.58 -37.81 85.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.93 -38.94 89.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.23 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.935 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 7.9 mt -68.36 -46.87 79.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.464 ' HZ ' HG22 ' A' ' 20' ' ' VAL . 2.0 m-85 -67.98 -29.36 68.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.458 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 59.9 p -63.6 -34.57 78.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 109.988 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.412 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 9.1 tp10 -71.14 -12.62 61.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.623 HG21 HD11 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -104.24 7.1 10.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.458 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 140.01 176.45 15.03 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.469 1.106 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.725 ' HD2' HG21 ' A' ' 69' ' ' THR . 18.1 Cg_endo -75.02 109.74 2.99 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.476 1.777 . . . . 0.0 111.008 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.522 ' CG2' ' SG ' ' A' ' 62' ' ' CYS . 14.5 p -87.94 137.91 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.671 HG12 ' N ' ' A' ' 44' ' ' SER . 2.7 t -89.97 -80.98 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.671 ' N ' HG12 ' A' ' 43' ' ' VAL . 0.4 OUTLIER -124.74 163.71 21.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.988 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.601 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.6 OUTLIER -153.03 115.7 4.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -130.38 130.99 45.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.285 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.739 HD23 ' HA3' ' A' ' 60' ' ' GLY . 0.2 OUTLIER -110.75 177.37 4.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.924 HG12 HD13 ' A' ' 104' ' ' LEU . 3.9 m -89.36 121.65 39.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.53 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 0.8 OUTLIER -126.74 118.91 25.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 54' ' ' GLY . 14.0 m-20 -71.01 109.32 5.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.7 mtm180 -73.05 -30.52 63.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -71.6 -32.54 68.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 110.294 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.5 m -106.03 -3.87 21.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.393 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 50.24 20.53 3.52 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.457 1.098 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.6 mmtt -117.89 145.33 36.43 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.562 ' HD2' ' CE2' ' A' ' 25' ' ' TYR . 18.4 Cg_endo -74.96 140.88 26.09 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.465 1.771 . . . . 0.0 111.017 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.904 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -62.68 -56.15 20.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 138.57 -20.04 3.14 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.519 1.137 . . . . 0.0 111.033 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.911 ' CE2' HG21 ' A' ' 48' ' ' VAL . 36.8 p90 -124.27 156.88 36.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 0.798 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.739 ' HA3' HD23 ' A' ' 47' ' ' LEU . . . -157.74 -172.65 25.18 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.408 ' CE2' HD11 ' A' ' 101' ' ' LEU . 92.5 m-85 -132.57 137.71 47.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 0.775 . . . . 0.0 111.002 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.601 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 4.9 t -114.07 120.32 40.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 108.297 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -96.42 123.41 40.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.273 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -101.2 179.48 4.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.611 ' HG3' HG21 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -108.09 -9.38 15.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.279 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.445 ' HB2' ' CB ' ' A' ' 69' ' ' THR . 0.0 OUTLIER -125.95 128.87 48.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.892 ' CD ' HD22 ' A' ' 15' ' ' LEU . 15.4 tt0 -64.63 -46.84 80.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -61.17 -37.37 82.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.725 HG21 ' HD2' ' A' ' 41' ' ' PRO . 84.8 m -66.42 -39.15 88.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.382 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.31 -40.33 89.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.541 ' C ' HD12 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -70.37 -49.0 53.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.455 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 3.8 m -60.1 -38.44 82.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.995 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.48 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . . . -66.64 -37.95 85.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.634 ' O ' ' HB3' ' A' ' 78' ' ' ASN . 0.2 OUTLIER -62.11 -47.95 82.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.968 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -77.63 -26.85 50.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.327 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.487 ' CB ' ' CG1' ' A' ' 39' ' ' VAL . 10.7 m-20 -68.48 -35.26 77.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.877 ' HB2' HG21 ' A' ' 89' ' ' VAL . 4.0 mt -103.87 -75.66 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.634 ' HB3' ' O ' ' A' ' 74' ' ' MET . 1.0 OUTLIER 36.8 33.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.163 . . . . 0.0 109.293 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.478 ' O ' ' HB1' ' A' ' 86' ' ' ALA . . . 117.0 49.82 0.41 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.777 ' CB ' HD23 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -81.7 125.6 30.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.484 0.755 . . . . 0.0 110.291 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.92 134.27 56.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.935 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 15.8 t80 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.478 ' HB1' ' O ' ' A' ' 79' ' ' GLY . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.659 HD13 HG12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -94.46 95.39 8.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.5 130.75 48.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.308 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.877 HG21 ' HB2' ' A' ' 77' ' ' LEU . 6.0 t -125.85 133.56 68.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.585 ' OD2' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -139.32 155.88 47.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.456 ' N ' ' SD ' ' A' ' 74' ' ' MET . 0.1 OUTLIER -78.48 125.02 28.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -59.06 -14.78 10.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.911 ' HB2' ' O ' ' A' ' 14' ' ' SER . . . -86.02 18.46 3.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.352 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.42 149.6 31.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 110.004 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -68.13 -36.54 79.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.281 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.2 pttt -80.57 -29.2 37.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.774 ' O ' HD12 ' A' ' 101' ' ' LEU . 3.2 m120 -72.24 -19.84 61.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.31 -29.87 70.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.73 -42.24 74.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.438 ' OE2' ' CE2' ' A' ' 59' ' ' TYR . 6.6 mm-40 -71.52 -44.47 64.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.774 HD12 ' O ' ' A' ' 97' ' ' ASN . 0.4 OUTLIER -63.3 -32.97 74.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.307 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -54.52 -28.66 46.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.75 -36.22 20.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.008 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.924 HD13 HG12 ' A' ' 48' ' ' VAL . 2.9 tp . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.547 ' CB ' ' NE2' ' A' ' 67' ' ' GLN . 0.2 OUTLIER -69.28 -16.87 63.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.556 ' O ' ' HB1' ' A' ' 70' ' ' ALA . 35.7 mtm-85 -87.49 -63.91 1.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.559 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 36.6 m -37.4 117.3 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 0.0 109.998 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.447 ' CG1' ' HG3' ' A' ' 74' ' ' MET . 0.4 OUTLIER -111.49 125.73 68.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.53 ' CD1' ' OD2' ' A' ' 90' ' ' ASP . 4.1 t80 -80.05 129.45 34.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.927 HG12 HD11 ' A' ' 23' ' ' ILE . 12.9 t -115.7 132.99 63.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.115 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.78 -176.74 14.52 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 61.18 24.4 14.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 0.754 . . . . 0.0 109.332 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.927 HD11 HG12 ' A' ' 20' ' ' VAL . 3.4 mt -95.22 114.44 63.77 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -177.62 3.6 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.533 1.807 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.576 ' CE2' ' HD2' ' A' ' 56' ' ' PRO . 4.8 m-85 -77.57 -6.91 55.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 111.062 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -91.61 -9.91 42.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 110.313 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.44 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -113.12 95.62 5.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 1.0 ' O ' HD22 ' A' ' 32' ' ' LEU . 6.8 p -90.76 174.25 7.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 110.388 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.757 ' HG3' HD11 ' A' ' 47' ' ' LEU . 26.1 mt-10 -58.0 -30.05 65.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.65 -33.57 73.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.267 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -89.71 -45.19 9.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.345 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.0 HD22 ' O ' ' A' ' 28' ' ' THR . 0.2 OUTLIER -57.18 -49.11 76.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.25 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.976 ' HG3' HG11 ' A' ' 42' ' ' VAL . 0.5 OUTLIER -61.03 -37.97 84.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -65.98 -37.7 86.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.67 HD11 ' CE2' ' A' ' 82' ' ' PHE . 24.0 mt -68.17 -47.39 78.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.466 ' HB3' ' CG2' ' A' ' 42' ' ' VAL . 0.2 OUTLIER -68.43 -29.1 67.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.428 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 57.8 p -62.33 -41.98 99.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.994 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -66.01 -12.09 52.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.951 HG21 HD11 ' A' ' 77' ' ' LEU . 6.1 t -103.93 7.01 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.428 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 137.49 -175.84 20.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.544 1.152 . . . . 0.0 110.965 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 132.24 15.18 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.485 1.781 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.976 HG11 ' HG3' ' A' ' 33' ' ' LYS . 31.1 t -106.09 139.43 27.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.616 HG12 ' N ' ' A' ' 44' ' ' SER . 3.1 t -97.19 -79.88 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.616 ' N ' HG12 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -125.39 171.29 10.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.996 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.55 ' CE2' ' HB2' ' A' ' 62' ' ' CYS . 0.7 OUTLIER -167.53 114.6 0.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.964 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -135.08 132.27 37.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.757 HD11 ' HG3' ' A' ' 29' ' ' GLU . 0.2 OUTLIER -107.15 177.69 4.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 109.3 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.043 HG12 HD13 ' A' ' 104' ' ' LEU . 3.7 m -88.82 121.58 39.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.524 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 0.8 OUTLIER -128.48 118.83 23.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.147 . . . . 0.0 110.981 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 54' ' ' GLY . 13.7 m-20 -70.12 109.31 4.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 64.5 mtt180 -72.97 -29.91 63.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -70.88 -32.32 69.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.467 ' OG1' ' CB ' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -111.88 5.77 19.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.402 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 39.49 27.91 0.1 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 53' ' ' THR . 3.7 ptmt -117.83 144.65 34.91 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.576 ' HD2' ' CE2' ' A' ' 25' ' ' TYR . 18.3 Cg_endo -75.01 142.22 27.56 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.511 1.795 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.928 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -68.04 -55.35 12.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 136.97 -20.48 3.41 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.488 1.118 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.913 ' CE2' HG21 ' A' ' 48' ' ' VAL . 39.4 p90 -125.51 156.88 38.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 0.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.739 ' HA3' HD23 ' A' ' 47' ' ' LEU . . . -157.27 -173.34 25.57 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.483 1.115 . . . . 0.0 110.958 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.571 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 61.1 m-85 -132.2 137.69 47.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.55 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 25.5 t -114.96 125.57 53.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 108.312 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.409 ' HG3' ' CB ' ' A' ' 44' ' ' SER . 1.6 pt-20 -98.87 123.31 43.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.824 ' CE1' HG22 ' A' ' 69' ' ' THR . 2.3 m-85 -95.04 -168.65 1.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.946 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.486 ' HB2' HG23 ' A' ' 43' ' ' VAL . 2.9 tt0 -115.07 -14.91 11.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -135.13 132.68 38.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.547 ' NE2' ' CB ' ' A' ' 15' ' ' LEU . 0.4 OUTLIER -59.69 -43.2 94.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.279 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.82 -38.04 80.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.824 HG22 ' CE1' ' A' ' 64' ' ' TYR . 33.9 m -67.99 -39.38 83.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.416 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.556 ' HB1' ' O ' ' A' ' 16' ' ' ARG . . . -68.11 -39.38 82.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.1 mt -70.15 -46.23 65.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.449 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 58.7 m -63.86 -38.0 89.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.994 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.772 ' HA ' HG11 ' A' ' 39' ' ' VAL . . . -66.87 -38.39 86.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.607 ' O ' ' HB3' ' A' ' 78' ' ' ASN . 1.7 mtp -62.65 -47.85 81.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.969 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.34 -26.83 52.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.281 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 72' ' ' SER . 18.5 m-20 -68.69 -35.71 77.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.951 HD11 HG21 ' A' ' 39' ' ' VAL . 9.2 mp -104.41 -72.33 0.71 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.607 ' HB3' ' O ' ' A' ' 74' ' ' MET . 1.0 OUTLIER 36.79 33.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.522 ' O ' ' HB1' ' A' ' 86' ' ' ALA . . . 116.97 53.86 0.32 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.83 121.31 26.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 0.748 . . . . 0.0 110.322 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -54.89 137.61 45.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.311 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.67 ' CE2' HD11 ' A' ' 35' ' ' ILE . 7.8 t80 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 111.025 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.522 ' HB1' ' O ' ' A' ' 79' ' ' GLY . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.529 HD21 HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -82.38 93.54 7.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' A' ' 20' ' ' VAL . 12.3 mmt85 -60.54 128.23 35.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.721 HG21 ' HB2' ' A' ' 77' ' ' LEU . 3.1 t -125.55 124.62 67.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.53 ' OD2' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -139.7 154.62 47.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.531 HD22 ' HB3' ' A' ' 93' ' ' ALA . 1.0 OUTLIER -61.93 123.93 19.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.248 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -62.33 -13.82 33.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.531 ' HB3' HD22 ' A' ' 91' ' ' ASN . . . -91.52 24.37 3.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.77 150.55 30.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.025 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -63.38 -36.88 85.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -81.35 -33.82 32.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.425 ' ND2' ' HB3' ' A' ' 19' ' ' PHE . 5.6 m-20 -72.32 -19.85 61.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -36.95 85.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.492 ' O ' ' CG ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -63.98 -37.8 88.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.312 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.461 ' OE2' ' CZ ' ' A' ' 59' ' ' TYR . 6.5 mm-40 -71.61 -42.8 67.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.571 ' HG ' ' CZ ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -62.87 -32.78 74.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.492 ' CG ' ' O ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -50.93 -29.15 11.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.56 -35.1 21.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.003 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 1.043 HD13 HG12 ' A' ' 48' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 71.1 m . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.461 ' HB3' ' CG ' ' A' ' 67' ' ' GLN . 1.1 mt -70.2 -13.38 62.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.0 mtm-85 -103.61 59.91 0.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.597 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 9.3 m -176.27 138.33 0.32 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.022 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.635 HG12 ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -124.47 125.55 70.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.358 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.48 ' CZ ' ' OE1' ' A' ' 100' ' ' GLU . 28.4 t80 -76.56 129.19 36.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.445 ' HB ' HD11 ' A' ' 23' ' ' ILE . 2.1 t -117.7 133.1 65.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.51 -172.34 12.91 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.2 t30 51.26 36.42 16.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 0.786 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.927 HD13 ' CD2' ' A' ' 32' ' ' LEU . 3.4 mt -95.48 114.47 63.98 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.502 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 18.3 Cg_endo -75.03 167.06 27.84 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 110.971 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.6 m-30 -66.64 -8.59 28.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -91.72 -11.72 36.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.258 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.553 ' HB1' HD11 ' A' ' 32' ' ' LEU . . . -115.97 95.87 5.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.544 ' O ' HD13 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -90.09 173.77 8.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.428 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.448 ' OE2' ' N ' ' A' ' 47' ' ' LEU . 41.2 mt-10 -58.29 -30.86 66.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.309 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.38 -33.37 75.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.292 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -85.72 -43.68 13.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.927 ' CD2' HD13 ' A' ' 23' ' ' ILE . 11.1 mp -60.59 -49.0 79.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.16 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.407 ' HD2' ' CG1' ' A' ' 42' ' ' VAL . 2.3 ttpp -56.36 -38.15 71.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -65.69 -38.15 88.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 0.0 109.349 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.896 HD12 ' HA ' ' A' ' 32' ' ' LEU . 8.2 mt -68.16 -47.06 80.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.849 ' CE1' HD13 ' A' ' 77' ' ' LEU . 3.8 m-85 -67.94 -29.07 68.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.488 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 54.2 p -62.66 -32.34 73.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 110.013 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.55 -11.16 22.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.332 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.851 HG11 ' CA ' ' A' ' 73' ' ' ALA . 60.9 t -102.3 -7.92 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.488 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 149.45 -167.45 29.69 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.467 1.104 . . . . 0.0 111.033 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.522 ' HD2' HG21 ' A' ' 69' ' ' THR . 18.1 Cg_endo -75.06 136.41 20.25 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.457 1.767 . . . . 0.0 110.953 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.407 ' CG1' ' HD2' ' A' ' 33' ' ' LYS . 71.9 t -106.06 122.3 59.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.476 ' CG2' ' HB2' ' A' ' 65' ' ' GLN . 59.6 t -70.87 -60.63 2.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.59 164.05 32.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.973 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.585 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.4 OUTLIER -143.23 122.22 12.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -132.4 131.66 42.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.87 HD11 ' CE2' ' A' ' 49' ' ' TYR . 1.3 pp -122.55 178.38 5.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.961 HG13 HD21 ' A' ' 104' ' ' LEU . 3.3 m -86.33 120.92 36.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.87 ' CE2' HD11 ' A' ' 47' ' ' LEU . 0.9 OUTLIER -123.06 119.29 29.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 111.044 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 54' ' ' GLY . 11.9 m-20 -72.62 109.21 6.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -73.71 -29.89 62.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -70.71 -32.42 69.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 110.313 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.459 ' OG1' ' CB ' ' A' ' 50' ' ' ASP . 1.0 OUTLIER -111.89 3.48 17.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.41 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 43.1 24.72 0.31 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.455 1.097 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.404 ' N ' ' C ' ' A' ' 53' ' ' THR . 3.1 mttt -118.27 145.78 37.92 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.56 0.8 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.579 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 18.3 Cg_endo -75.02 137.51 21.77 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.54 1.81 . . . . 0.0 111.028 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.872 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -59.65 -58.59 7.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 140.64 -16.31 2.87 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.906 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 40.8 p90 -126.74 157.21 39.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 0.78 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.481 ' HA3' ' CB ' ' A' ' 47' ' ' LEU . . . -168.28 -172.93 35.74 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.518 1.136 . . . . 0.0 110.987 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.575 ' CE2' ' HG ' ' A' ' 101' ' ' LEU . 37.0 m-85 -132.82 137.53 46.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 111.034 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.585 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 26.3 t -114.71 126.79 55.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 108.308 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.446 ' HA ' ' HA ' ' A' ' 17' ' ' SER . 4.4 tt0 -99.28 130.98 45.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.254 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.644 ' CE1' HG22 ' A' ' 69' ' ' THR . 7.2 m-85 -99.78 -168.61 1.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.476 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -109.59 -20.33 12.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.269 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -136.77 137.64 40.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.686 ' OE1' HD12 ' A' ' 71' ' ' LEU . 2.2 tm0? -57.26 -38.84 74.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 0.0 110.256 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -63.26 -37.82 88.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.644 HG22 ' CE1' ' A' ' 64' ' ' TYR . 25.7 m -66.88 -43.19 84.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 0.0 110.412 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.472 ' HB2' ' HB2' ' A' ' 64' ' ' TYR . . . -67.89 -39.39 83.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.686 HD12 ' OE1' ' A' ' 67' ' ' GLN . 6.2 mt -68.38 -42.61 78.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.466 ' C ' HG11 ' A' ' 39' ' ' VAL . 5.9 t -62.74 -38.8 91.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.973 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.851 ' CA ' HG11 ' A' ' 39' ' ' VAL . . . -66.56 -38.56 87.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.635 ' HG3' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -61.45 -48.5 80.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.9 ttm105 -76.76 -26.95 55.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 72' ' ' SER . 1.0 OUTLIER -77.66 -18.96 56.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.849 HD13 ' CE1' ' A' ' 36' ' ' PHE . 4.7 mt -119.39 -80.14 0.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.545 ' HB3' ' O ' ' A' ' 74' ' ' MET . 7.3 p-10 31.07 66.74 0.14 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.46 53.79 2.69 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.466 1.104 . . . . 0.0 111.014 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -88.32 121.01 30.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 110.344 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.81 135.34 47.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.331 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.45 ' CE2' HD11 ' A' ' 35' ' ' ILE . 14.1 t80 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 111.029 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.657 ' O ' HG23 ' A' ' 89' ' ' VAL . 1.9 mm? -90.58 87.88 6.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.93 124.8 18.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.336 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.707 HG21 ' HB2' ' A' ' 77' ' ' LEU . 3.3 t -125.32 124.23 66.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -139.63 135.91 33.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 90' ' ' ASP . 2.1 t30 -37.83 136.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.597 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -82.93 48.46 1.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.404 ' HB3' HD22 ' A' ' 91' ' ' ASN . . . -156.2 24.99 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.496 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -78.45 155.86 29.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.983 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -68.39 -33.28 73.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.1 pttt -82.22 -36.01 27.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.501 ' C ' ' OD1' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -73.54 -16.69 61.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.457 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 0.1 OUTLIER -60.71 -35.53 76.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -68.16 -37.56 81.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.333 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.48 ' OE1' ' CZ ' ' A' ' 19' ' ' PHE . 8.7 mt-10 -72.13 -42.96 65.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.575 ' HG ' ' CE2' ' A' ' 61' ' ' PHE . 2.9 mt -60.84 -38.61 86.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.7 tttt -46.33 -30.88 2.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.4 m -85.78 -33.4 21.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.032 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.961 HD21 HG13 ' A' ' 48' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.593 ' CB ' ' HB2' ' A' ' 93' ' ' ALA . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.521 HD13 ' NE2' ' A' ' 67' ' ' GLN . 1.1 mt -71.25 -12.71 61.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.49 ' O ' ' HB1' ' A' ' 70' ' ' ALA . 13.4 mtp180 -88.56 -79.41 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.29 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.503 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 16.7 m -38.55 114.01 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.025 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.449 ' CG1' ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -111.68 126.01 69.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 109.339 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.483 ' CE2' ' HB2' ' A' ' 59' ' ' TYR . 2.3 t80 -78.39 129.84 35.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.528 HG12 HD11 ' A' ' 23' ' ' ILE . 2.8 t -115.67 133.43 62.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -134.35 -174.53 13.52 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.43 1.081 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.445 ' CB ' ' O ' ' A' ' 86' ' ' ALA . 7.0 m-20 62.03 24.73 14.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 0.742 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.828 HG21 HD21 ' A' ' 32' ' ' LEU . 2.9 mt -96.44 113.87 63.34 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 174.83 12.09 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.464 1.771 . . . . 0.0 111.037 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.564 ' CE2' ' HD2' ' A' ' 56' ' ' PRO . 3.8 m-85 -74.31 -4.57 36.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 111.042 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.55 -9.32 44.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.155 . . . . 0.0 110.341 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.722 ' HB1' ' CD ' ' A' ' 31' ' ' GLN . . . -121.45 105.95 10.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.824 ' O ' HD22 ' A' ' 32' ' ' LEU . 4.5 p -95.95 176.93 5.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.355 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.882 ' HG3' HD11 ' A' ' 47' ' ' LEU . 24.4 mt-10 -55.32 -27.58 47.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -59.53 -33.08 70.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.722 ' CD ' ' HB1' ' A' ' 27' ' ' ALA . 0.2 OUTLIER -90.17 -45.61 8.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.26 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.828 HD21 HG21 ' A' ' 23' ' ' ILE . 0.4 OUTLIER -56.74 -49.02 76.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.918 ' HG3' HG11 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -61.36 -37.71 84.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.231 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.37 -39.18 91.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.164 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.674 HG22 HD21 ' A' ' 77' ' ' LEU . 43.9 mt -68.09 -46.67 81.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.436 ' HZ ' HG22 ' A' ' 20' ' ' VAL . 3.9 m-85 -67.75 -29.42 68.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 111.059 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.486 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 54.5 p -63.96 -33.54 75.95 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.462 1.101 . . . . 0.0 110.0 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -63.7 -10.84 21.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.412 1.07 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.526 HG11 ' HB2' ' A' ' 73' ' ' ALA . 5.0 t -101.92 -11.07 8.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.486 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 148.26 -163.65 28.94 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.518 1.136 . . . . 0.0 110.97 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 135.29 18.85 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.499 1.789 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.918 HG11 ' HG3' ' A' ' 33' ' ' LYS . 70.7 t -106.14 122.31 59.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.582 HG23 ' HB2' ' A' ' 65' ' ' GLN . 2.6 t -72.91 -74.44 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.57 ' N ' HG12 ' A' ' 43' ' ' VAL . 0.2 OUTLIER -137.33 174.45 10.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.0 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.589 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.7 OUTLIER -167.5 113.2 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -132.99 137.34 46.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.882 HD11 ' HG3' ' A' ' 29' ' ' GLU . 0.2 OUTLIER -111.78 178.6 4.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 1.069 HG12 HD13 ' A' ' 104' ' ' LEU . 3.3 m -90.22 122.45 41.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.517 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 0.9 OUTLIER -127.29 119.35 26.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 54' ' ' GLY . 26.5 m-20 -71.55 109.28 5.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 78.3 mtm-85 -72.99 -31.97 64.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -71.89 -32.72 67.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 60.3 m -104.49 -3.4 24.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 110.397 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 48.43 21.43 2.0 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.5 mmtt -118.06 144.93 35.74 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 0.757 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.564 ' HD2' ' CE2' ' A' ' 25' ' ' TYR . 18.2 Cg_endo -74.97 139.59 24.54 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.48 1.779 . . . . 0.0 110.983 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.887 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -61.46 -56.64 17.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.262 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 137.81 -21.37 3.2 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.544 1.152 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.859 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 53.1 p90 -124.64 157.25 35.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 0.789 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.763 ' HA3' HD23 ' A' ' 47' ' ' LEU . . . -156.35 -171.86 23.1 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.567 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 72.4 m-85 -132.33 137.76 47.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 0.764 . . . . 0.0 110.98 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.589 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 24.3 t -114.07 124.16 51.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 108.313 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.93 125.92 46.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.542 ' CE1' HG22 ' A' ' 69' ' ' THR . 2.6 m-85 -95.13 -167.35 1.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.582 ' HB2' HG23 ' A' ' 43' ' ' VAL . 3.4 tt0 -114.58 -15.01 12.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.252 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -139.94 135.89 33.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.521 ' NE2' HD13 ' A' ' 15' ' ' LEU . 11.3 tt0 -57.44 -38.57 74.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -63.03 -37.77 88.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.542 HG22 ' CE1' ' A' ' 64' ' ' TYR . 3.0 m -67.53 -42.51 82.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.438 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.49 ' HB1' ' O ' ' A' ' 16' ' ' ARG . . . -68.06 -39.46 83.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.9 mt -69.16 -42.15 76.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.443 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 3.6 m -64.78 -37.78 88.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.951 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.526 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -66.76 -38.63 86.98 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.661 ' HG2' HG12 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -63.56 -47.02 83.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 111.018 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.78 -25.59 49.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.281 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 72' ' ' SER . 58.2 m-20 -75.6 -35.33 60.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.674 HD21 HG22 ' A' ' 35' ' ' ILE . 6.1 mp -103.67 -91.36 0.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.512 ' CB ' ' O ' ' A' ' 74' ' ' MET . 1.2 t-20 37.72 88.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 71.74 43.16 52.06 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.479 1.112 . . . . 0.0 110.963 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.11 120.56 27.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.782 . . . . 0.0 110.313 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -60.73 135.6 57.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.656 ' CE1' ' NE2' ' A' ' 31' ' ' GLN . 5.3 t80 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.445 ' O ' ' CB ' ' A' ' 22' ' ' ASN . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.254 -0.646 . . . . 0.0 109.254 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.567 ' O ' HG23 ' A' ' 89' ' ' VAL . 0.2 OUTLIER -89.36 94.5 9.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.04 110.61 2.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 110.288 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.661 HG12 ' HG2' ' A' ' 74' ' ' MET . 38.9 t -115.42 121.55 67.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.76 154.4 46.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.729 HD22 ' HB3' ' A' ' 93' ' ' ALA . 2.3 t30 -54.19 122.68 10.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -57.45 -17.98 15.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.729 ' HB3' HD22 ' A' ' 91' ' ' ASN . . . -90.73 38.46 0.95 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.407 ' HB2' ' ND2' ' A' ' 97' ' ' ASN . 0.4 OUTLIER -92.23 154.47 18.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.972 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.75 -36.89 82.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -81.47 -33.86 31.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.407 ' ND2' ' HB2' ' A' ' 94' ' ' SER . 78.9 m-20 -72.34 -19.83 61.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -64.54 -43.95 92.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -62.53 -36.05 81.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.244 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.541 ' OE1' ' CZ ' ' A' ' 59' ' ' TYR . 2.0 mm-40 -71.57 -42.94 67.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.284 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.567 ' HG ' ' CZ ' ' A' ' 61' ' ' PHE . 0.6 OUTLIER -63.02 -32.77 74.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -51.96 -28.49 16.88 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.45 -35.95 20.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.012 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 1.069 HD13 HG12 ' A' ' 48' ' ' VAL . 3.3 tp . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.1 t0 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.464 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 18.2 Cg_endo -74.99 166.36 29.38 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.543 1.812 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 177.43 45.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 36.2 t -85.88 -32.88 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.565 ' HA ' HD12 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -59.53 -34.95 73.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.259 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.49 -38.15 74.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.34 -40.38 94.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 110.031 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.565 HD12 ' HA ' ' A' ' 12' ' ' ASP . 2.5 mt -69.54 -13.55 62.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.0 mtm-85 -111.18 76.12 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.297 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.508 ' O ' ' CB ' ' A' ' 92' ' ' ALA . 3.2 m 175.27 125.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.991 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.577 HG12 ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -117.45 125.88 74.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.418 ' CE1' ' HB2' ' A' ' 59' ' ' TYR . 24.6 t80 -79.4 129.23 34.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.912 HG12 HD11 ' A' ' 23' ' ' ILE . 2.8 t -117.25 133.22 64.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -138.66 -175.62 14.08 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.483 1.114 . . . . 0.0 111.052 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 13.7 t30 62.61 21.9 12.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.755 . . . . 0.0 109.303 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.912 HD11 HG12 ' A' ' 20' ' ' VAL . 3.1 mt -95.43 114.43 63.86 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.467 ' CD ' ' HB3' ' A' ' 83' ' ' SER . 18.3 Cg_endo -75.0 -175.49 2.39 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.549 1.815 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.572 ' CE2' ' HD2' ' A' ' 56' ' ' PRO . 3.6 m-85 -75.39 -4.72 41.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 111.022 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -91.6 -15.71 28.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.637 ' HB3' HG22 ' A' ' 23' ' ' ILE . . . -110.49 93.42 4.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.975 ' O ' HD22 ' A' ' 32' ' ' LEU . 7.5 p -90.88 174.81 7.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.385 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.411 ' CD ' ' O ' ' A' ' 45' ' ' PHE . 13.1 mt-10 -57.73 -30.22 65.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -61.12 -33.81 73.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.266 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -88.5 -45.18 10.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.975 HD22 ' O ' ' A' ' 28' ' ' THR . 0.3 OUTLIER -57.01 -48.84 77.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.353 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -61.24 -37.87 84.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.25 -39.19 92.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.681 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 20.2 mt -67.57 -46.97 81.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.565 ' CE1' HD22 ' A' ' 77' ' ' LEU . 3.5 m-85 -68.27 -27.53 66.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 111.011 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.485 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 35.5 p -61.48 -32.93 72.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 110.048 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -68.03 -13.51 62.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.268 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.911 HG11 ' CA ' ' A' ' 73' ' ' ALA . 24.2 t -104.88 1.07 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.485 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 133.64 176.33 14.34 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.46 1.1 . . . . 0.0 110.973 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 123.34 7.82 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.544 1.812 . . . . 0.0 111.035 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.1 m -92.79 122.2 44.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.243 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.54 HG23 ' N ' ' A' ' 65' ' ' GLN . 97.9 t -55.91 -58.92 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.346 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.88 161.91 39.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 110.022 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.592 ' CE1' HD21 ' A' ' 47' ' ' LEU . 0.6 OUTLIER -147.07 116.96 7.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 111.0 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.494 ' C ' HD23 ' A' ' 47' ' ' LEU . 7.3 mmt180 -128.14 136.61 51.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.592 HD21 ' CE1' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -117.99 174.93 5.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.998 HG21 ' CE2' ' A' ' 59' ' ' TYR . 3.4 m -88.1 121.93 39.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.556 ' CE1' ' HB3' ' A' ' 56' ' ' PRO . 1.1 m-85 -126.21 119.28 27.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 111.015 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 54' ' ' GLY . 15.6 m-20 -72.14 109.09 5.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -73.1 -30.34 63.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.272 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -71.31 -32.45 68.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.461 HG22 ' CD ' ' A' ' 55' ' ' LYS . 18.5 m -105.91 -4.14 21.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.41 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 51.01 19.9 3.99 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.461 ' CD ' HG22 ' A' ' 53' ' ' THR . 0.8 OUTLIER -117.92 145.49 36.84 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.53 0.783 . . . . 0.0 109.333 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.572 ' HD2' ' CE2' ' A' ' 25' ' ' TYR . 18.4 Cg_endo -74.99 137.88 22.32 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.486 1.782 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.859 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -57.87 -57.41 12.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.117 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 137.92 -18.86 3.33 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.438 1.086 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.998 ' CE2' HG21 ' A' ' 48' ' ' VAL . 26.2 p90 -124.57 156.91 36.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.753 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.537 ' HA3' HD22 ' A' ' 47' ' ' LEU . . . -161.67 -174.35 31.44 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.476 1.11 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.567 ' CE2' ' HG ' ' A' ' 101' ' ' LEU . 75.5 m-85 -131.96 139.89 48.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.754 . . . . 0.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 26.0 t -117.6 121.99 42.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 108.29 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -100.25 123.51 44.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.298 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.462 ' C ' HG23 ' A' ' 43' ' ' VAL . 9.8 m-85 -93.58 -170.7 2.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.54 ' N ' HG23 ' A' ' 43' ' ' VAL . 2.2 tt0 -109.0 -15.12 14.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.303 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -136.91 134.27 36.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.431 ' CG ' ' HB3' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -57.26 -40.82 78.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.311 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -62.36 -37.68 86.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.274 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.409 HG22 ' CE1' ' A' ' 64' ' ' TYR . 23.6 m -65.57 -44.16 87.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 110.413 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.443 ' HB2' ' HB2' ' A' ' 64' ' ' TYR . . . -67.65 -39.52 84.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.3 mt -67.47 -42.0 83.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.447 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 5.0 t -62.96 -38.34 90.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.967 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.911 ' CA ' HG11 ' A' ' 39' ' ' VAL . . . -66.61 -38.26 86.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.577 ' HG3' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -63.28 -46.8 85.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.6 ttm180 -77.44 -26.12 51.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.352 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 72' ' ' SER . 1.0 OUTLIER -75.49 -35.05 60.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.656 HD21 HG22 ' A' ' 35' ' ' ILE . 8.2 mp -103.14 -90.92 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 74' ' ' MET . 1.5 t30 37.62 88.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 67.98 37.66 87.95 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.86 121.44 26.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 110.285 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.5 136.2 57.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.294 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.681 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 6.0 t80 178.76 -40.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.559 ' OG ' HD21 ' A' ' 87' ' ' LEU . 12.5 m -89.3 20.66 3.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.142 . . . . 0.0 110.002 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.6 5.97 89.16 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.469 1.105 . . . . 0.0 111.027 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.674 ' O ' ' HB2' ' A' ' 86' ' ' ALA . 0.1 OUTLIER -144.02 -66.9 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 0.792 . . . . 0.0 110.291 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.674 ' HB2' ' O ' ' A' ' 85' ' ' ARG . . . 164.06 142.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.687 HD13 HG12 ' A' ' 23' ' ' ILE . 0.4 OUTLIER -96.21 93.16 6.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 17.2 mtt-85 -63.82 118.78 8.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 87' ' ' LEU . 11.6 t -124.96 122.85 64.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.348 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -139.6 143.12 37.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.645 HD22 ' HB3' ' A' ' 93' ' ' ALA . 1.7 t30 -45.54 134.92 6.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -72.38 -13.33 61.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.539 1.15 . . . . 0.0 109.354 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.645 ' HB3' HD22 ' A' ' 91' ' ' ASN . . . -91.7 23.06 3.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.05 148.96 30.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.949 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -63.68 -36.34 83.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.263 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.02 -33.49 33.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.582 ' O ' HD12 ' A' ' 101' ' ' LEU . 6.7 m-20 -71.91 -19.79 61.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -65.16 -33.16 75.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.68 -40.43 92.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.327 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -71.44 -42.69 67.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 110.331 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.582 HD12 ' O ' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -62.87 -32.83 74.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.1 tptm -48.92 -28.73 4.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.56 -36.84 20.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.987 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.654 HD13 HG12 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -84.94 7.5 20.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.265 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -81.03 66.75 3.72 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.53 1.144 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 39.8 p -92.27 -46.77 7.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 0.773 . . . . 0.0 110.386 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 82.34 99.62 0.46 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.453 1.095 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -142.16 154.6 64.71 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.497 0.763 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 81.23 2.26 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.454 1.765 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 33.2 m -120.5 136.43 57.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.4 pp . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.297 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.4 ' CB ' ' CD ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.4 ' CD ' ' CB ' ' A' ' 8' ' ' ASP . 18.3 Cg_endo -75.07 -162.52 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.472 1.775 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -170.57 89.94 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 38.9 t -70.11 -31.11 46.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.43 -33.74 70.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.424 ' HG2' ' N ' ' A' ' 14' ' ' SER . 3.7 ptt180 -56.34 -36.06 68.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.424 ' N ' ' HG2' ' A' ' 13' ' ' ARG . 0.3 OUTLIER -61.93 -32.66 73.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.989 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.452 ' CB ' ' NE2' ' A' ' 67' ' ' GLN . 0.8 OUTLIER -69.22 -16.69 63.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 109.307 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.593 ' O ' ' HB1' ' A' ' 70' ' ' ALA . 23.7 mtm-85 -93.1 -61.48 1.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.295 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.604 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 16.3 m -37.49 115.0 0.37 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.963 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.489 HG12 ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -111.92 125.88 69.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.244 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.66 ' CD1' ' CE2' ' A' ' 61' ' ' PHE . 30.3 t80 -81.61 129.7 34.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 111.035 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.98 HG12 HD11 ' A' ' 23' ' ' ILE . 17.1 t -116.84 133.14 64.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.99 -175.44 13.91 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.44 ' O ' ' ND2' ' A' ' 22' ' ' ASN . 0.6 OUTLIER 62.92 22.19 13.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 109.262 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.98 HD11 HG12 ' A' ' 20' ' ' VAL . 3.2 mt -95.47 114.28 63.55 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.457 ' CD ' ' HB3' ' A' ' 83' ' ' SER . 18.2 Cg_endo -74.94 -164.12 0.22 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.46 1.768 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 16.8 m-30 -87.88 -8.13 56.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -88.11 -11.67 46.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.258 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -117.76 96.45 5.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.105 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.792 ' O ' HD22 ' A' ' 32' ' ' LEU . 6.4 p -90.85 174.21 7.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.369 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.503 ' HG3' HD23 ' A' ' 47' ' ' LEU . 66.6 mt-10 -57.75 -30.53 65.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 110.322 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -60.7 -33.91 73.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.332 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -86.83 -45.06 11.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.863 HD21 HG21 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -56.78 -48.64 77.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.898 ' HG3' HG11 ' A' ' 42' ' ' VAL . 1.5 ttpt -61.18 -37.74 84.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.346 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.63 -39.48 93.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.816 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 6.8 mt -68.16 -46.28 81.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.47 ' HB3' ' CG2' ' A' ' 42' ' ' VAL . 0.3 OUTLIER -67.52 -29.31 68.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.953 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 52.1 p -62.95 -33.85 76.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 110.049 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.434 ' HA ' ' OE1' ' A' ' 38' ' ' GLU . 2.2 tp10 -70.87 -12.73 61.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.321 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.966 HG21 HD11 ' A' ' 77' ' ' LEU . 20.3 t -104.0 7.06 10.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.449 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 135.02 -174.66 21.04 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 132.64 15.66 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.457 1.767 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.898 HG11 ' HG3' ' A' ' 33' ' ' LYS . 53.4 t -104.58 122.29 57.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.658 HG23 ' HB2' ' A' ' 65' ' ' GLN . 2.4 t -72.13 -59.45 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.78 163.88 34.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.006 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.589 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.7 OUTLIER -152.26 114.82 4.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 111.025 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -125.44 129.6 50.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.343 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.833 HD11 ' CE2' ' A' ' 49' ' ' TYR . 3.9 pp -116.14 177.95 4.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.986 HG21 ' CE2' ' A' ' 59' ' ' TYR . 2.9 m -86.47 121.56 37.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.833 ' CE2' HD11 ' A' ' 47' ' ' LEU . 1.1 m-85 -122.79 119.62 31.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 54' ' ' GLY . 42.5 m-20 -75.76 109.69 9.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.4 mtt-85 -72.42 -28.12 62.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.331 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -68.99 -31.33 70.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.323 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -111.28 -3.14 15.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.417 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 53.15 17.85 5.86 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.568 1.167 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -117.92 146.26 38.6 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.463 0.743 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.58 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 18.0 Cg_endo -75.03 137.42 21.63 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 0.0 110.962 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.852 ' HB2' HG23 ' A' ' 48' ' ' VAL . 2.0 mmtm -53.34 -58.26 7.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 142.53 -17.04 2.45 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.986 ' CE2' HG21 ' A' ' 48' ' ' VAL . 32.9 p90 -125.76 156.61 39.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 0.754 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.479 ' HA3' ' CB ' ' A' ' 47' ' ' LEU . . . -166.04 -170.33 30.82 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.66 ' CE2' ' CD1' ' A' ' 19' ' ' PHE . 85.4 m-85 -132.11 137.85 47.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 0.786 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.589 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 11.7 t -116.2 121.62 42.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 0.0 108.292 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -100.0 123.35 44.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.669 ' CE1' HG22 ' A' ' 69' ' ' THR . 3.2 m-85 -92.44 -167.62 1.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.658 ' HB2' HG23 ' A' ' 43' ' ' VAL . 2.6 tt0 -108.8 -17.99 13.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.258 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -136.94 132.64 34.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.508 ' HG2' HD12 ' A' ' 71' ' ' LEU . 11.5 tt0 -57.33 -37.44 72.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.77 -38.15 89.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.669 HG22 ' CE1' ' A' ' 64' ' ' TYR . 89.1 m -68.33 -41.41 80.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.35 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.593 ' HB1' ' O ' ' A' ' 16' ' ' ARG . . . -68.0 -39.47 83.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.508 HD12 ' HG2' ' A' ' 67' ' ' GLN . 5.0 mt -69.59 -43.91 71.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.449 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 93.2 p -62.79 -38.26 89.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.016 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.928 ' HA ' HG11 ' A' ' 39' ' ' VAL . . . -66.88 -38.34 86.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.647 ' HG2' HG12 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -63.32 -47.06 83.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 111.032 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -77.52 -25.44 50.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 110.304 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 72' ' ' SER . 46.9 m-20 -75.94 -35.13 59.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.966 HD11 HG21 ' A' ' 39' ' ' VAL . 8.9 mp -103.46 -92.0 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.519 ' CB ' ' O ' ' A' ' 74' ' ' MET . 1.3 t-20 36.34 85.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.344 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 84.98 32.71 20.22 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.41 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 3.4 tpt180 -81.87 120.33 25.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 0.788 . . . . 0.0 110.263 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -61.11 138.44 58.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.816 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 46.7 t80 -178.6 -43.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.457 ' HB3' ' CD ' ' A' ' 24' ' ' PRO . 20.7 m -88.54 19.9 3.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.009 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.52 5.82 89.16 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.472 1.108 . . . . 0.0 111.018 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.677 ' O ' ' HB2' ' A' ' 86' ' ' ALA . 0.1 OUTLIER -139.16 -69.64 0.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 110.34 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.677 ' HB2' ' O ' ' A' ' 85' ' ' ARG . . . 164.76 142.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.57 ' O ' HG23 ' A' ' 89' ' ' VAL . 2.7 mm? -91.41 94.91 9.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.93 99.72 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.158 . . . . 0.0 110.332 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.647 HG12 ' HG2' ' A' ' 74' ' ' MET . 30.5 t -106.47 122.59 60.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.03 154.46 47.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.65 HD22 ' HB3' ' A' ' 93' ' ' ALA . 1.2 t30 -58.51 122.12 12.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.604 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -61.67 -14.03 27.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 109.318 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.65 ' HB3' HD22 ' A' ' 91' ' ' ASN . . . -90.62 23.58 2.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.77 154.51 28.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.01 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -64.46 -36.39 84.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.8 mmtt -81.13 -33.74 33.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.592 ' O ' HD12 ' A' ' 101' ' ' LEU . 72.1 m-20 -72.12 -19.93 61.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.25 -41.9 93.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.093 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -62.64 -35.23 78.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.313 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.586 ' OE2' ' CE2' ' A' ' 19' ' ' PHE . 9.8 mt-10 -71.57 -43.22 66.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.326 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.592 HD12 ' O ' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -63.14 -32.84 74.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.72 -28.71 15.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.3 t -85.49 -34.89 21.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.989 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.64 HD13 HG12 ' A' ' 48' ' ' VAL . 1.2 tp -84.87 7.51 20.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -145.26 131.25 4.15 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 106' ' ' THR . 7.2 t -160.53 111.4 1.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 0.787 . . . . 0.0 110.391 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -77.28 164.06 52.31 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.499 1.124 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 64.5 89.85 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.772 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 146.64 32.96 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.503 1.791 . . . . 0.0 111.003 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 72.7 t -133.53 139.25 49.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 6.9 mm . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.513 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 8' ' ' ASP . 18.3 Cg_endo -74.99 -178.08 3.92 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.536 1.808 . . . . 0.0 110.978 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -151.47 59.34 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.9 t -69.96 -32.83 52.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.254 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.06 -34.77 72.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -41.04 98.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.3 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.8 -40.42 95.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.003 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.51 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -69.47 -14.02 62.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.8 mtm-85 -107.78 71.62 0.82 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.503 ' O ' ' CB ' ' A' ' 92' ' ' ALA . 3.3 m 176.31 126.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.015 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.494 HG12 ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -119.07 125.98 74.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.279 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.587 ' CD2' ' OD1' ' A' ' 97' ' ' ASN . 1.7 t80 -79.48 129.44 34.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.559 ' HB ' HD11 ' A' ' 23' ' ' ILE . 2.2 t -115.93 133.31 62.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -134.83 174.54 21.04 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 t30 71.68 23.38 3.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 109.259 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.571 HG12 HD13 ' A' ' 87' ' ' LEU . 3.4 mt -95.13 114.2 63.18 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.469 ' CD ' ' HB3' ' A' ' 83' ' ' SER . 18.4 Cg_endo -75.0 -179.54 5.09 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.473 1.775 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -75.6 -5.07 43.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.56 -9.95 42.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.431 ' HB1' HD11 ' A' ' 32' ' ' LEU . . . -114.44 96.1 5.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.118 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.937 ' O ' HD22 ' A' ' 32' ' ' LEU . 10.3 p -90.63 174.74 7.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.398 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.557 ' HG3' HD11 ' A' ' 47' ' ' LEU . 36.0 mt-10 -57.54 -30.04 64.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 110.334 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -60.76 -33.56 73.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -89.95 -45.16 9.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.937 HD22 ' O ' ' A' ' 28' ' ' THR . 0.2 OUTLIER -57.27 -49.11 77.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.737 ' HG3' HG11 ' A' ' 42' ' ' VAL . 2.8 ttpp -61.76 -37.66 85.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.429 1.081 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.61 -38.54 89.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.966 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 8.0 mt -68.27 -47.22 79.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -68.15 -29.31 68.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.443 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 60.9 p -63.57 -35.19 79.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 109.984 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.406 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 15.0 tp10 -70.83 -12.59 61.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.248 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.704 HG11 ' HA ' ' A' ' 73' ' ' ALA . 1.7 t -104.17 7.17 10.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.443 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 135.03 -177.23 19.49 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 122.82 7.44 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.474 1.776 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.737 HG11 ' HG3' ' A' ' 33' ' ' LYS . 11.1 p -100.93 123.03 53.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.473 ' CG2' ' HB2' ' A' ' 65' ' ' GLN . 30.9 t -72.06 -76.15 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.5 p -134.87 160.93 36.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.983 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.587 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.8 OUTLIER -152.66 115.1 4.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.9 mtt-85 -130.95 140.91 50.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.287 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.744 HD23 ' HA3' ' A' ' 60' ' ' GLY . 0.2 OUTLIER -118.33 176.86 5.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.992 HG12 HD13 ' A' ' 104' ' ' LEU . 3.5 m -87.14 121.57 38.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.53 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 1.0 OUTLIER -124.83 119.24 28.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.579 1.174 . . . . 0.0 110.97 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 54' ' ' GLY . 17.1 m-20 -72.74 109.54 6.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.6 mtt-85 -72.58 -29.71 63.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -70.81 -31.38 68.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.3 p -108.32 -3.32 18.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 110.371 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 51.32 18.83 3.66 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 3.6 mttt -118.21 145.25 36.62 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.483 0.754 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.53 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . 18.4 Cg_endo -74.96 137.69 22.14 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.483 1.781 . . . . 0.0 111.012 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.881 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -55.99 -57.37 12.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 141.3 -19.73 2.64 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.504 1.128 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.89 ' O ' HG22 ' A' ' 48' ' ' VAL . 41.0 p90 -123.87 156.93 35.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.744 ' HA3' HD23 ' A' ' 47' ' ' LEU . . . -159.47 -174.0 28.65 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.5 1.125 . . . . 0.0 110.972 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.569 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 80.3 m-85 -132.14 139.92 48.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 0.767 . . . . 0.0 111.023 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.587 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 9.7 t -117.83 121.48 40.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 108.295 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -99.92 123.41 44.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 110.275 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.887 ' CE2' HG22 ' A' ' 69' ' ' THR . 2.2 m-30 -94.22 -168.29 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.473 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . 1.0 OUTLIER -114.19 -13.42 12.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -132.97 131.24 40.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.244 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.465 ' CG ' ' HB3' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -60.74 -42.92 98.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 110.325 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -60.0 -37.69 80.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.887 HG22 ' CE2' ' A' ' 64' ' ' TYR . 94.2 m -67.01 -41.84 85.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.415 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.96 -39.41 90.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.257 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.521 ' C ' HD12 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -69.5 -48.39 60.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.44 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 3.4 m -59.98 -37.51 79.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.583 1.177 . . . . 0.0 109.986 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.704 ' HA ' HG11 ' A' ' 39' ' ' VAL . . . -66.7 -38.45 86.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.705 ' HG2' HG12 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -63.58 -47.27 82.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.978 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.76 -25.55 49.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 72' ' ' SER . 63.9 m-20 -75.9 -35.2 59.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.667 HD11 HG21 ' A' ' 39' ' ' VAL . 4.2 mt -103.62 -91.79 0.36 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.513 ' CB ' ' O ' ' A' ' 74' ' ' MET . 1.3 t-20 37.38 87.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 78.12 37.99 27.33 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.457 1.098 . . . . 0.0 111.034 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.27 120.86 26.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 0.748 . . . . 0.0 110.302 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.81 133.77 55.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.966 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 11.6 t80 -174.61 -43.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.469 ' HB3' ' CD ' ' A' ' 24' ' ' PRO . 14.6 m -88.38 19.11 3.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 109.986 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.63 5.92 86.15 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.532 1.145 . . . . 0.0 110.985 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.551 ' O ' ' HB2' ' A' ' 86' ' ' ALA . 0.2 OUTLIER -142.5 -76.99 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 110.356 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.551 ' HB2' ' O ' ' A' ' 85' ' ' ARG . . . 172.3 141.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 109.307 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.611 ' O ' HG23 ' A' ' 89' ' ' VAL . 1.7 mm? -90.52 94.54 9.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -64.59 100.86 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.705 HG12 ' HG2' ' A' ' 74' ' ' MET . 42.7 t -106.27 122.04 59.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.356 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -139.97 137.56 34.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.274 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.706 HD22 ' HB3' ' A' ' 93' ' ' ALA . 2.1 t30 -40.27 135.34 1.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -73.52 -12.5 60.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.706 ' HB3' HD22 ' A' ' 91' ' ' ASN . . . -91.97 25.28 2.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.34 150.1 27.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.007 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -65.74 -36.54 83.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.329 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.66 -33.59 58.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.702 ' O ' HD12 ' A' ' 101' ' ' LEU . 1.9 m-80 -72.12 -19.78 61.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.345 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -64.54 -34.25 77.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.083 . . . . 0.0 109.263 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -66.21 -42.29 88.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.147 . . . . 0.0 110.257 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.554 ' HG2' ' CE2' ' A' ' 59' ' ' TYR . 0.7 OUTLIER -71.45 -42.79 67.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.702 HD12 ' O ' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -62.41 -32.84 73.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -54.31 -30.55 51.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.143 . . . . 0.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.1 t -85.72 -35.04 21.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 109.995 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.992 HD13 HG12 ' A' ' 48' ' ' VAL . 6.5 tp -79.44 0.96 27.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 75.79 129.85 0.29 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.483 1.114 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 8.7 t -92.8 12.0 25.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 0.792 . . . . 0.0 110.422 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -177.2 70.33 0.08 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -114.6 92.19 27.95 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.502 0.766 . . . . 0.0 109.286 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 62.96 6.05 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.439 1.757 . . . . 0.0 110.978 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 12.3 p -124.97 137.27 58.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 6.3 pt . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.579 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.675 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 18.2 Cg_endo -74.99 -89.71 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.463 1.77 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.675 ' HB3' ' O ' ' A' ' 9' ' ' PRO . . . 82.95 -5.57 1.27 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.3 t -86.34 -33.22 7.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -72.87 -45.71 56.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.5 mtt180 -57.23 -39.5 75.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.04 -40.38 93.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.993 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.044 HD13 ' NE2' ' A' ' 67' ' ' GLN . 8.1 mt -72.15 -12.6 61.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.6 mtp180 -115.08 54.57 0.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.584 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 36.2 m -164.3 126.25 2.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.009 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -123.72 125.68 71.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.564 ' CZ ' ' OE1' ' A' ' 100' ' ' GLU . 42.5 t80 -78.01 129.13 34.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.951 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.694 HG12 HD11 ' A' ' 23' ' ' ILE . 2.2 t -119.23 132.96 67.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -140.63 -176.45 15.26 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.499 1.124 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.414 ' HB2' ' NH1' ' A' ' 88' ' ' ARG . 21.9 t-20 58.6 29.4 18.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 0.789 . . . . 0.0 109.275 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.903 HD13 HD21 ' A' ' 32' ' ' LEU . 2.0 mt -99.16 118.89 61.86 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.252 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 173.74 13.99 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.481 1.78 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.524 ' CZ ' ' HD2' ' A' ' 56' ' ' PRO . 3.6 m-30 -73.63 -1.99 21.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -91.41 -9.62 44.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.329 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.573 ' HB1' HD11 ' A' ' 32' ' ' LEU . . . -114.72 98.23 6.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.349 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.542 ' O ' HD13 ' A' ' 32' ' ' LEU . 6.3 p -90.2 174.08 7.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 110.382 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.591 ' HG3' HD11 ' A' ' 47' ' ' LEU . 22.0 mt-10 -57.88 -30.85 66.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -63.64 -33.25 75.21 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.562 1.163 . . . . 0.0 110.34 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -86.94 -45.2 11.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.917 ' HA ' HD12 ' A' ' 35' ' ' ILE . 10.8 mp -58.77 -49.36 77.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.79 ' HG3' HG11 ' A' ' 42' ' ' VAL . 4.2 tttt -57.64 -37.76 73.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.402 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 0.5 OUTLIER -66.31 -37.0 84.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.94 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 8.5 mt -68.09 -47.89 76.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -68.89 -29.04 67.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.464 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 68.7 p -63.0 -33.53 75.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 109.998 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.402 ' CG ' ' O ' ' A' ' 34' ' ' ASP . 2.5 mt-10 -65.54 -12.54 53.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.585 1.178 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.962 HG11 ' HA ' ' A' ' 73' ' ' ALA . 4.3 t -103.96 7.26 10.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.464 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 130.18 -171.3 20.56 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.517 1.136 . . . . 0.0 111.021 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 119.43 5.64 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.546 1.814 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.79 HG11 ' HG3' ' A' ' 33' ' ' LYS . 11.1 p -92.74 122.15 43.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.754 HG12 ' N ' ' A' ' 44' ' ' SER . 2.3 t -66.07 -81.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.754 ' N ' HG12 ' A' ' 43' ' ' VAL . 0.1 OUTLIER -132.55 167.46 19.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 110.004 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' A' ' 62' ' ' CYS . 0.8 OUTLIER -160.76 114.21 2.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -132.84 142.13 48.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.316 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.768 HD23 ' HA3' ' A' ' 60' ' ' GLY . 0.2 OUTLIER -116.72 176.67 5.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.92 HG21 ' CE2' ' A' ' 59' ' ' TYR . 3.7 m -88.2 121.67 38.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 2.5 m-85 -123.81 119.35 29.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 111.053 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 54' ' ' GLY . 3.8 m-20 -74.2 108.19 6.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.4 mtt-85 -73.12 -27.72 61.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.24 -29.69 67.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.244 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.641 HG23 ' CD ' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -111.04 -6.62 14.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.363 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 58.36 17.66 33.02 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.641 ' CD ' HG23 ' A' ' 53' ' ' THR . 0.7 OUTLIER -119.78 145.62 39.83 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.576 0.81 . . . . 0.0 109.26 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.524 ' HD2' ' CZ ' ' A' ' 25' ' ' TYR . 18.3 Cg_endo -74.97 137.84 22.31 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.507 1.793 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.837 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -53.31 -57.49 10.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 141.9 -20.24 2.52 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.504 1.127 . . . . 0.0 110.965 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.92 ' CE2' HG21 ' A' ' 48' ' ' VAL . 32.9 p90 -122.74 156.51 34.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 0.768 . . . . 0.0 111.048 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.768 ' HA3' HD23 ' A' ' 47' ' ' LEU . . . -157.59 -175.04 28.07 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.559 ' CE2' ' HG ' ' A' ' 101' ' ' LEU . 75.6 m-85 -132.2 139.68 48.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 0.784 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.574 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 27.0 t -117.79 123.07 45.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 108.261 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -99.76 125.37 45.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.284 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.467 ' CD2' ' HA ' ' A' ' 70' ' ' ALA . 2.5 m-85 -94.34 -167.09 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.519 ' HB2' HG23 ' A' ' 43' ' ' VAL . 0.1 OUTLIER -112.74 -15.22 13.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -141.48 133.81 28.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 1.044 ' NE2' HD13 ' A' ' 15' ' ' LEU . 32.9 tt0 -57.39 -37.93 73.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 110.272 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -61.66 -38.59 88.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.3 m -68.1 -41.22 82.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 0.0 110.372 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.467 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . . . -67.89 -38.93 83.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.5 mt -69.22 -46.05 68.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.419 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 8.6 t -62.31 -38.44 89.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.986 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.962 ' HA ' HG11 ' A' ' 39' ' ' VAL . . . -66.26 -38.05 86.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.533 ' O ' ' CB ' ' A' ' 78' ' ' ASN . 5.5 mtp -62.59 -46.45 88.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 111.041 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -77.22 -25.8 52.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 72' ' ' SER . 10.6 m-20 -75.66 -35.27 60.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.673 HD21 HG22 ' A' ' 35' ' ' ILE . 7.5 mp -104.75 -91.35 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.533 ' CB ' ' O ' ' A' ' 74' ' ' MET . 1.6 t30 39.59 90.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 69.62 35.43 74.43 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.543 1.152 . . . . 0.0 110.962 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.83 120.86 25.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 0.772 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -53.95 140.63 30.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.341 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.94 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 38.7 t80 -178.27 117.68 0.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 82' ' ' PHE . 0.3 OUTLIER 80.18 13.64 0.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.986 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 90.65 16.26 55.23 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.561 1.163 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.25 152.86 39.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 0.0 110.267 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -79.36 138.6 37.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.589 HD21 HG23 ' A' ' 23' ' ' ILE . 7.8 mt -95.63 85.5 4.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.414 ' NH1' ' HB2' ' A' ' 22' ' ' ASN . 0.0 OUTLIER -60.23 118.82 6.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 87' ' ' LEU . 78.2 t -125.64 123.49 64.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -139.99 137.12 34.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 109.277 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.678 HD22 ' HB3' ' A' ' 93' ' ' ALA . 1.2 t30 -40.53 122.88 1.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -64.47 -11.88 38.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.678 ' HB3' HD22 ' A' ' 91' ' ' ASN . . . -90.23 22.81 3.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.6 t -79.7 154.58 28.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.01 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -67.31 -33.03 74.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.122 . . . . 0.0 110.315 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.19 -34.09 32.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.621 ' O ' HD12 ' A' ' 101' ' ' LEU . 86.7 m-20 -72.45 -19.63 61.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 11.2 tttm -64.18 -39.01 93.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -65.36 -38.39 89.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.564 ' OE1' ' CZ ' ' A' ' 19' ' ' PHE . 7.8 mt-10 -71.62 -42.98 66.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.621 HD12 ' O ' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -62.89 -32.95 74.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.9 ttpp -49.82 -28.76 6.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.268 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.58 -36.3 20.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.995 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.742 HD13 HG12 ' A' ' 48' ' ' VAL . 1.5 tp -84.85 7.55 20.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.563 ' O ' ' HB2' ' A' ' 108' ' ' ALA . . . -117.85 -62.63 0.3 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.6 t -45.53 137.42 5.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 0.768 . . . . 0.0 110.406 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 80.91 13.74 80.73 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.562 1.164 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.784 ' HB3' ' HD3' ' A' ' 109' ' ' PRO . . . -68.71 -53.14 16.58 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 0.755 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.784 ' HD3' ' HB3' ' A' ' 108' ' ' ALA . 18.1 Cg_endo -75.05 77.34 3.17 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.495 1.787 . . . . 0.0 110.959 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 27.8 m -127.62 136.45 60.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.3 pt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.269 -179.986 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.547 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.601 ' HD2' HG23 ' A' ' 11' ' ' VAL . 18.2 Cg_endo -74.98 -64.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.507 1.793 . . . . 0.0 110.973 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -128.3 18.8 6.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.359 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.601 HG23 ' HD2' ' A' ' 9' ' ' PRO . 17.8 t -87.19 -33.03 6.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.5 -51.68 68.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.468 ' HE ' ' N ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -57.59 -36.52 71.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 110.316 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.468 ' N ' ' HE ' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -61.05 -40.57 94.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.007 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.431 ' HB3' ' CG ' ' A' ' 67' ' ' GLN . 10.1 mt -69.45 -13.75 62.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.4 mtm-85 -110.04 59.99 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.285 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.584 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 25.2 m -170.79 122.6 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.017 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.476 HG23 ' HE2' ' A' ' 36' ' ' PHE . 0.0 OUTLIER -118.25 125.65 74.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.537 ' CD1' ' OD2' ' A' ' 90' ' ' ASP . 2.8 t80 -79.85 129.29 34.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.936 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.786 HG12 HD11 ' A' ' 23' ' ' ILE . 2.2 t -115.31 133.01 62.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -140.25 -178.19 16.71 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.478 1.111 . . . . 0.0 111.025 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 23.6 t30 56.92 32.13 20.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 0.799 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.961 HD13 HD21 ' A' ' 32' ' ' LEU . 1.3 mt -101.95 122.29 47.73 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 168.49 24.71 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.461 1.769 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.571 ' CE2' ' HD2' ' A' ' 56' ' ' PRO . 3.4 m-85 -69.42 -5.9 26.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.15 -9.62 52.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.648 ' HB3' HG22 ' A' ' 23' ' ' ILE . . . -113.77 98.06 6.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.24 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.525 ' O ' HD13 ' A' ' 32' ' ' LEU . 10.2 p -90.02 174.09 7.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.413 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.774 ' HG3' HD11 ' A' ' 47' ' ' LEU . 19.1 mt-10 -58.03 -30.28 66.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.44 -33.18 74.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.329 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -87.9 -45.51 10.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.963 ' HA ' HD12 ' A' ' 35' ' ' ILE . 11.0 mp -59.19 -49.31 78.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -57.06 -37.92 72.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.9 -41.11 97.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.963 HD12 ' HA ' ' A' ' 32' ' ' LEU . 5.8 mt -65.69 -47.01 87.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.488 ' HZ ' HG22 ' A' ' 20' ' ' VAL . 3.4 m-85 -67.96 -28.37 67.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.535 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -62.15 -32.42 73.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.0 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -62.77 -11.37 17.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.981 HG11 ' HB2' ' A' ' 73' ' ' ALA . 86.7 t -102.39 -10.42 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.535 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 147.13 -171.36 27.84 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.448 1.092 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 121.03 6.33 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.522 1.801 . . . . 0.0 111.037 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.473 ' CG1' ' SG ' ' A' ' 62' ' ' CYS . 2.2 t -86.05 126.44 40.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.459 ' CG2' ' HB2' ' A' ' 65' ' ' GLN . 23.6 t -75.13 -70.87 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 98.7 p -140.02 164.32 30.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.998 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.594 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.7 OUTLIER -158.71 115.31 2.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.995 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.62 135.09 41.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 110.287 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.774 HD11 ' HG3' ' A' ' 29' ' ' GLU . 0.2 OUTLIER -110.86 176.47 5.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.344 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.91 HG23 ' HB2' ' A' ' 57' ' ' LYS . 3.5 m -87.01 121.93 38.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 1.0 OUTLIER -125.85 119.71 28.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 1.013 ' HB3' HG22 ' A' ' 53' ' ' THR . 14.5 m-20 -76.17 110.02 10.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.9 mtp-105 -71.89 -27.34 62.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -68.26 -32.19 72.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.249 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 1.013 HG22 ' HB3' ' A' ' 50' ' ' ASP . 8.5 t -112.16 -0.71 15.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.355 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 49.41 21.25 2.89 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.483 1.114 . . . . 0.0 111.04 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.552 ' H ' HG23 ' A' ' 53' ' ' THR . 2.3 mttt -117.85 146.06 38.07 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.487 0.757 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.571 ' HD2' ' CE2' ' A' ' 25' ' ' TYR . 18.3 Cg_endo -74.96 137.76 22.23 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.517 1.799 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.91 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -56.97 -57.25 13.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 141.98 -19.61 2.52 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.904 ' CE2' HG21 ' A' ' 48' ' ' VAL . 31.0 p90 -124.52 156.63 37.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.773 . . . . 0.0 111.02 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.758 ' HA3' HD23 ' A' ' 47' ' ' LEU . . . -157.95 -175.09 28.48 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.57 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 73.8 m-85 -132.41 140.29 48.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.768 . . . . 0.0 110.954 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.594 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 14.1 t -121.05 124.32 44.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 108.287 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -99.87 123.32 44.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.259 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -93.16 -169.65 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.98 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.459 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . 3.0 tt0 -115.12 -14.63 11.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -129.95 132.18 46.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 109.351 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.431 ' CG ' ' HB3' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -62.55 -45.61 92.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 110.27 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -59.9 -37.38 79.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 39' ' ' VAL . 53.1 m -65.5 -43.71 89.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.404 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.63 -39.19 93.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.531 ' C ' HD12 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -68.95 -48.5 63.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.428 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 1.4 t -60.03 -37.46 79.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.999 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.981 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -66.69 -38.85 87.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.523 ' O ' ' CB ' ' A' ' 78' ' ' ASN . 3.3 mtp -64.57 -46.5 82.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.949 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -77.68 -25.63 49.63 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.428 ' CB ' ' O ' ' A' ' 72' ' ' SER . 68.7 m-20 -76.19 -36.07 58.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.697 HD21 HG22 ' A' ' 35' ' ' ILE . 9.9 mp -102.08 -91.45 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.523 ' CB ' ' O ' ' A' ' 74' ' ' MET . 1.6 t-20 37.29 89.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 73.24 33.11 59.43 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.92 121.21 26.21 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.459 0.74 . . . . 0.0 110.334 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.4 139.78 52.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.897 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 29.9 t80 -179.07 117.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.455 ' CB ' ' O ' ' A' ' 82' ' ' PHE . 0.2 OUTLIER 82.26 13.31 0.54 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.983 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 90.61 16.2 55.41 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 110.952 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -149.48 153.92 38.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 0.79 . . . . 0.0 110.297 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.49 136.93 34.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.261 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.75 HD23 ' CG1' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -90.28 93.6 9.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.06 102.08 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 87' ' ' LEU . 25.4 t -109.33 122.49 64.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.537 ' OD2' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -139.9 138.88 36.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.702 HD22 ' HB3' ' A' ' 93' ' ' ALA . 1.5 t30 -44.7 125.44 4.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -65.5 -11.8 46.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.702 ' HB3' HD22 ' A' ' 91' ' ' ASN . . . -91.99 26.54 2.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.9 151.08 30.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.996 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -63.92 -36.83 85.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 0.0 110.321 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.35 -33.87 32.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.346 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.619 ' O ' HD12 ' A' ' 101' ' ' LEU . 5.0 m-20 -72.23 -19.9 61.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.41 -39.08 91.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 109.25 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -65.09 -39.16 92.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.292 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.59 -42.75 67.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.619 HD12 ' O ' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -62.91 -32.87 74.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 109.254 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -52.57 -28.56 21.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.5 m -85.49 -36.93 20.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.988 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.852 HD13 HG12 ' A' ' 48' ' ' VAL . 4.3 tp -79.45 -7.54 58.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 101' ' ' LEU . . . -90.91 63.43 2.85 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.434 ' CG2' ' N ' ' A' ' 107' ' ' GLY . 1.9 m -145.37 167.11 23.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 0.786 . . . . 0.0 110.419 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.434 ' N ' ' CG2' ' A' ' 106' ' ' THR . . . -47.01 -72.18 0.44 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.498 1.124 . . . . 0.0 111.034 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 50.69 71.55 1.51 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.512 0.772 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -179.45 5.0 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.497 1.788 . . . . 0.0 110.983 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 35.8 m -122.57 145.89 28.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.277 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.416 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 8.8 t0 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.666 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 18.4 Cg_endo -75.02 -89.46 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.532 1.806 . . . . 0.0 111.047 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.666 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 165.35 100.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.7 t -69.76 -32.79 53.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.43 -34.93 73.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -36.97 83.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.04 -40.17 94.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.004 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.436 ' CB ' ' NE2' ' A' ' 67' ' ' GLN . 1.0 OUTLIER -69.44 -13.73 62.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.127 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.523 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 22.2 mtm-85 -89.37 -65.24 1.04 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.348 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.577 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 2.4 p -34.13 120.34 0.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.971 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.637 HG22 HG13 ' A' ' 89' ' ' VAL . 5.0 p -116.21 123.9 71.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.595 ' CD1' ' OD2' ' A' ' 90' ' ' ASP . 0.6 OUTLIER -77.4 143.85 38.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 111.016 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 1.03 HG12 HD11 ' A' ' 23' ' ' ILE . 59.6 t -134.23 132.95 55.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -141.09 -170.89 12.35 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.528 1.143 . . . . 0.0 111.03 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.404 ' ND2' ' HG2' ' A' ' 85' ' ' ARG . 2.4 t30 54.6 32.86 17.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 0.729 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 1.03 HD11 HG12 ' A' ' 20' ' ' VAL . 2.8 mt -96.28 127.24 41.02 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.548 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 18.0 Cg_endo -75.04 159.04 41.71 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.498 1.788 . . . . 0.0 111.0 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -63.13 -11.33 19.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.11 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -91.56 -9.73 43.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.548 ' HB3' ' HD2' ' A' ' 24' ' ' PRO . . . -108.88 94.9 5.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.891 ' O ' HD22 ' A' ' 32' ' ' LEU . 14.4 p -90.43 174.48 7.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.425 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.403 ' OE2' ' O ' ' A' ' 45' ' ' PHE . 7.9 mt-10 -57.69 -30.21 65.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 110.336 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -60.51 -33.64 72.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -89.37 -44.89 9.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.891 HD22 ' O ' ' A' ' 28' ' ' THR . 0.1 OUTLIER -56.89 -49.12 76.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.959 ' CG ' HG21 ' A' ' 42' ' ' VAL . 1.6 ttpt -60.98 -38.07 84.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -64.86 -38.69 91.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.794 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 7.6 mt -68.06 -46.98 80.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.746 ' HE2' HG21 ' A' ' 20' ' ' VAL . 1.0 OUTLIER -68.43 -27.22 65.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 111.014 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.437 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 31.3 p -60.75 -40.3 91.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.016 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -70.29 -14.09 62.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 110.286 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.876 HG21 HD11 ' A' ' 77' ' ' LEU . 3.0 t -105.47 7.24 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.437 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 137.58 163.37 9.64 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.544 1.153 . . . . 0.0 111.068 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 117.85 5.06 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.5 1.789 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.959 HG21 ' CG ' ' A' ' 33' ' ' LYS . 18.1 m -87.29 127.37 40.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.465 ' CG2' ' HG3' ' A' ' 65' ' ' GLN . 69.0 t -72.2 -56.57 9.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.7 167.06 25.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.008 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.71 ' CE1' HD21 ' A' ' 47' ' ' LEU . 0.7 OUTLIER -159.67 118.55 2.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 111.008 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.56 ' C ' HD23 ' A' ' 47' ' ' LEU . 0.2 OUTLIER -136.15 131.04 34.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.455 1.097 . . . . 0.0 110.324 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.71 HD21 ' CE1' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -109.43 175.42 5.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.037 HG12 HD13 ' A' ' 104' ' ' LEU . 4.2 m -88.18 121.67 38.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 0.9 OUTLIER -126.24 118.94 26.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 54' ' ' GLY . 45.0 m-20 -71.43 109.45 5.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.412 ' NH1' ' HB2' ' A' ' 51' ' ' ARG . 19.5 mtm105 -73.03 -30.38 63.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.307 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -71.24 -31.65 67.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.293 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.9 p -107.7 -3.09 19.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 110.321 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 49.7 20.57 2.87 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.5 1.125 . . . . 0.0 110.962 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -117.93 145.14 36.03 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.445 0.732 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . 18.3 Cg_endo -75.02 137.85 22.21 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.523 1.802 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.9 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.3 OUTLIER -58.47 -57.6 12.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 139.09 -17.77 3.16 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.921 ' CE2' HG21 ' A' ' 48' ' ' VAL . 37.8 p90 -125.67 157.08 38.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.776 . . . . 0.0 111.049 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.645 ' HA3' HD22 ' A' ' 47' ' ' LEU . . . -160.71 -175.99 32.32 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.565 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 70.3 m-85 -131.85 136.93 47.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 0.797 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.577 ' HB2' ' CE1' ' A' ' 45' ' ' PHE . 12.1 t -114.8 124.59 52.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 108.291 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -98.7 122.57 42.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.702 ' CE1' HG22 ' A' ' 69' ' ' THR . 2.3 m-85 -92.13 -166.96 1.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.465 ' HG3' ' CG2' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -111.62 -12.63 13.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.266 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.7 133.07 23.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.436 ' NE2' ' CB ' ' A' ' 15' ' ' LEU . 7.3 tt0 -56.54 -35.72 68.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.321 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -61.21 -37.06 81.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.702 HG22 ' CE1' ' A' ' 64' ' ' TYR . 98.8 m -68.38 -42.88 78.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.376 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 16' ' ' ARG . . . -65.59 -40.01 92.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.252 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.417 HD23 ' HE3' ' A' ' 74' ' ' MET . 6.9 mt -70.51 -46.15 64.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.356 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.452 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 47.8 t -61.45 -38.87 88.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.724 ' HA ' HG11 ' A' ' 39' ' ' VAL . . . -66.56 -38.18 86.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.646 ' CG ' HG12 ' A' ' 89' ' ' VAL . 0.9 OUTLIER -62.92 -46.9 85.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.999 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.78 -24.85 48.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.258 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 72' ' ' SER . 21.5 m-20 -74.86 -35.93 62.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.876 HD11 HG21 ' A' ' 39' ' ' VAL . 9.7 mp -103.71 -93.48 0.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.532 ' CB ' ' O ' ' A' ' 74' ' ' MET . 6.2 t30 32.37 82.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 92.5 33.31 7.61 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -90.84 120.11 31.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 110.269 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 85' ' ' ARG . 5.6 mt-10 -65.9 139.5 58.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.311 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.794 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 39.4 t80 -178.92 121.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 82' ' ' PHE . 2.3 t 84.9 17.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.025 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.26 5.91 86.77 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.404 ' HG2' ' ND2' ' A' ' 22' ' ' ASN . 0.0 OUTLIER -126.93 -152.97 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 0.755 . . . . 0.0 110.3 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -130.26 146.63 51.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.251 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.789 HD12 ' HB3' ' A' ' 82' ' ' PHE . 0.2 OUTLIER -107.63 96.1 6.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.434 ' O ' ' HA ' ' A' ' 20' ' ' VAL . 47.1 mtt-85 -81.77 127.55 33.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.646 HG12 ' CG ' ' A' ' 74' ' ' MET . 57.3 t -125.95 130.14 72.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.595 ' OD2' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -140.18 154.45 46.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.341 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.443 ' OD1' ' CE ' ' A' ' 74' ' ' MET . 0.8 OUTLIER -60.58 122.67 15.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -61.78 -14.11 29.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.437 ' HB3' HD22 ' A' ' 91' ' ' ASN . . . -91.33 22.23 4.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.2 t -79.67 150.37 30.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.007 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -67.99 -32.01 72.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.311 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.8 pttt -81.03 -34.5 32.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.738 ' O ' HD12 ' A' ' 101' ' ' LEU . 5.8 m-20 -72.66 -19.71 61.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.25 -32.62 74.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.19 -41.7 85.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -71.59 -43.01 67.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.738 HD12 ' O ' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -62.93 -32.9 74.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 29.2 tttt -55.25 -28.88 56.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.7 m -85.5 -34.35 21.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.977 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 1.037 HD13 HG12 ' A' ' 48' ' ' VAL . 7.0 tp -79.51 1.01 27.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -79.15 -62.24 2.24 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.539 1.149 . . . . 0.0 110.95 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.5 t -95.13 126.1 40.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 110.426 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 172.97 -144.0 7.59 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.531 1.145 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -162.55 160.97 20.24 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 165.79 30.61 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.484 1.781 . . . . 0.0 110.998 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.6 p -137.46 151.46 26.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 2.9 tt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.435 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 13.2 t0 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.435 ' HD3' ' N ' ' A' ' 8' ' ' ASP . 18.2 Cg_endo -75.04 -162.52 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.487 1.782 . . . . 0.0 110.98 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -145.95 71.02 1.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.441 ' O ' HD23 ' A' ' 15' ' ' LEU . 33.7 t -69.95 -32.88 53.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.36 -42.87 92.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.6 ttt-85 -66.22 -41.11 90.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.91 -32.4 73.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.985 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.457 ' HB3' ' CG ' ' A' ' 67' ' ' GLN . 0.1 OUTLIER -69.1 -18.08 63.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -99.58 50.83 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.239 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.534 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 35.2 m -164.51 123.96 1.92 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.476 HG12 ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -119.84 125.6 74.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.572 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 15.9 t80 -77.78 129.39 35.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.543 HG13 HG22 ' A' ' 89' ' ' VAL . 2.1 t -121.79 132.91 69.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -136.1 -167.84 11.34 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 51.34 30.52 6.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 0.749 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.95 HD13 HD11 ' A' ' 32' ' ' LEU . 1.2 mt -98.06 114.44 65.11 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 176.46 9.88 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.505 1.792 . . . . 0.0 111.055 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.57 ' CE2' ' HD2' ' A' ' 56' ' ' PRO . 3.9 m-85 -73.18 -3.07 24.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 111.019 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -91.53 -9.89 42.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.536 ' HB2' ' HE1' ' A' ' 82' ' ' PHE . . . -116.42 96.69 5.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.2 p -90.55 173.82 7.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 110.363 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.68 ' HG3' HD11 ' A' ' 47' ' ' LEU . 14.8 mt-10 -57.94 -31.32 66.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -63.77 -33.26 75.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -84.53 -44.72 13.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.95 HD11 HD13 ' A' ' 23' ' ' ILE . 16.4 mt -58.95 -49.21 78.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.886 ' HG3' HG21 ' A' ' 42' ' ' VAL . 2.2 ttpt -57.4 -37.84 73.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.118 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.1 -36.49 82.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.885 HG22 HD21 ' A' ' 77' ' ' LEU . 10.9 mt -67.97 -48.25 75.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.482 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . 1.7 m-85 -69.48 -27.94 65.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.966 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.502 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -61.86 -33.08 73.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.987 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -69.8 -13.63 62.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.936 HG11 ' HA ' ' A' ' 73' ' ' ALA . 40.2 t -104.87 -1.01 9.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.502 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 138.75 173.22 12.89 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 118.77 5.38 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.474 1.776 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.886 HG21 ' HG3' ' A' ' 33' ' ' LYS . 3.1 m -85.74 148.01 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.775 HG23 ' HB2' ' A' ' 65' ' ' GLN . 2.3 t -83.48 -49.99 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.64 166.76 13.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.963 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.682 ' CE1' ' CD2' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -149.74 117.8 6.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.6 mtm-85 -125.42 131.88 52.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.682 ' CD2' ' CE1' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -117.85 171.24 8.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.975 HG21 ' CZ ' ' A' ' 59' ' ' TYR . 3.1 m -86.32 121.78 37.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.553 ' CE1' ' HB3' ' A' ' 56' ' ' PRO . 0.9 OUTLIER -124.93 118.92 27.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 111.021 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 54' ' ' GLY . 68.5 m-20 -71.08 109.13 4.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.097 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -73.01 -29.89 63.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 110.288 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -71.02 -32.33 69.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 110.323 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.6 m -106.72 -4.38 19.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.429 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 53.9 17.5 7.24 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.539 1.149 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.7 mmtm -117.93 145.5 36.88 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.553 0.796 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.57 ' HD2' ' CE2' ' A' ' 25' ' ' TYR . 18.2 Cg_endo -74.95 137.59 22.04 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.492 1.785 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.824 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -53.84 -58.29 7.8 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 140.56 -17.01 2.87 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.452 1.095 . . . . 0.0 111.021 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.975 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 52.1 p90 -125.25 157.77 35.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 0.749 . . . . 0.0 110.973 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -164.67 -173.67 33.56 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.472 1.107 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.578 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 65.8 m-85 -132.2 145.72 51.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 0.778 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.589 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 11.6 t -121.93 124.45 44.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 108.312 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -100.2 127.26 46.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.303 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.585 ' CE1' HG22 ' A' ' 69' ' ' THR . 4.4 m-85 -98.54 -173.67 2.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 111.031 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.775 ' HB2' HG23 ' A' ' 43' ' ' VAL . 3.1 tm0? -113.83 -15.21 12.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -130.41 134.13 46.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.457 ' CG ' ' HB3' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -59.29 -47.99 83.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.257 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -60.68 -36.68 79.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.338 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.585 HG22 ' CE1' ' A' ' 64' ' ' TYR . 53.8 m -64.3 -44.56 91.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.402 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.492 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . . . -67.71 -40.44 84.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.7 mt -67.67 -38.6 83.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.453 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 36.7 m -65.63 -38.25 88.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.13 . . . . 0.0 109.999 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.936 ' HA ' HG11 ' A' ' 39' ' ' VAL . . . -66.45 -38.72 87.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.613 ' HG2' HG12 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -63.45 -46.74 84.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 111.047 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.66 -25.77 49.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 72' ' ' SER . 0.9 OUTLIER -75.79 -35.2 60.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.335 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.885 HD21 HG22 ' A' ' 35' ' ' ILE . 6.0 mp -104.42 -91.05 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.527 ' CB ' ' O ' ' A' ' 74' ' ' MET . 0.8 OUTLIER 39.47 90.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 61.03 40.75 98.94 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.1 131.3 34.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 0.752 . . . . 0.0 110.326 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.65 132.1 47.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.26 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.608 ' CE2' HD11 ' A' ' 35' ' ' ILE . 2.4 t80 -152.67 -56.52 0.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.107 . . . . 0.0 111.032 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.473 ' N ' ' CD1' ' A' ' 82' ' ' PHE . 5.9 m -85.19 18.0 2.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.068 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 90.19 5.94 69.58 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.7 mtm-85 -129.98 -91.85 0.45 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 0.775 . . . . 0.0 110.315 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -179.21 142.37 0.18 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.681 HD21 HG23 ' A' ' 23' ' ' ILE . 7.9 mt -105.38 93.66 4.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 61.8 mtt85 -62.89 119.77 10.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.316 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 87' ' ' LEU . 24.5 t -125.55 125.93 69.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -139.23 154.55 48.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.576 ' ND2' ' HB3' ' A' ' 93' ' ' ALA . 7.2 t30 -57.83 129.3 41.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -68.16 -9.58 47.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 109.26 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.576 ' HB3' ' ND2' ' A' ' 91' ' ' ASN . . . -96.89 19.34 12.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.425 ' HB3' ' ND2' ' A' ' 97' ' ' ASN . 5.3 t -79.76 152.31 29.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.022 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -59.92 -37.13 78.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -81.82 -26.58 34.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.78 ' O ' HD12 ' A' ' 101' ' ' LEU . 1.4 m-80 -71.99 -22.57 61.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.6 mttp -68.26 -35.85 78.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.83 -42.57 90.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.26 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.58 -43.01 67.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.334 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.78 HD12 ' O ' ' A' ' 97' ' ' ASN . 0.4 OUTLIER -61.6 -32.88 73.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.284 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.1 tttt -54.06 -32.36 54.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.5 m -86.26 -24.14 26.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.998 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.736 ' CD2' HG13 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -78.88 -9.52 59.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 91.84 107.24 1.56 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.412 HG23 ' H ' ' A' ' 106' ' ' THR . 81.9 p -39.64 126.38 1.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 0.781 . . . . 0.0 110.374 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.607 ' O ' ' HB3' ' A' ' 108' ' ' ALA . . . -37.89 122.53 1.1 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.496 1.122 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' A' ' 107' ' ' GLY . . . 77.33 89.56 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 0.771 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 88.2 1.25 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.545 1.813 . . . . 0.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.618 ' O ' HG22 ' A' ' 111' ' ' ILE . 21.5 m -137.47 147.04 26.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.618 HG22 ' O ' ' A' ' 110' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.405 ' OD2' ' O ' ' A' ' 9' ' ' PRO . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.405 ' O ' ' OD2' ' A' ' 8' ' ' ASP . 18.5 Cg_endo -74.99 -162.09 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.475 1.776 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -161.2 86.78 0.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 109.266 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 38.8 t -69.57 -32.91 54.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.99 -35.0 74.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -58.27 -36.33 73.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.62 -40.22 91.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.979 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.541 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -70.24 -13.04 62.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.2 mtm-85 -112.17 75.42 0.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.464 ' HB3' ' CB ' ' A' ' 92' ' ' ALA . 0.1 OUTLIER 175.37 143.73 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.953 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.577 HG12 ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -125.06 125.93 70.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.521 ' CE1' ' OE2' ' A' ' 100' ' ' GLU . 21.5 t80 -74.72 129.41 37.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.607 ' CG1' HD12 ' A' ' 87' ' ' LEU . 1.8 t -115.37 133.25 62.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -145.52 -179.67 21.96 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.6 t30 61.75 32.09 18.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 0.736 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.906 HD13 HD11 ' A' ' 32' ' ' LEU . 2.2 mt -98.77 140.55 21.85 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.566 ' HD2' HG22 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.03 -162.47 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.556 1.819 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -97.5 -26.69 14.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.12 -9.54 58.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.148 . . . . 0.0 110.351 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.569 ' HB3' HG22 ' A' ' 23' ' ' ILE . . . -102.87 94.02 5.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.2 p -89.81 174.36 7.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 110.379 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.476 ' HG3' HD23 ' A' ' 47' ' ' LEU . 25.2 mt-10 -57.63 -31.57 66.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.82 -33.65 75.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -84.62 -44.41 13.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.066 HD21 HD11 ' A' ' 87' ' ' LEU . 20.1 mt -57.97 -49.53 76.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.951 ' HG3' HG11 ' A' ' 42' ' ' VAL . 1.8 ttpm? -57.27 -38.16 73.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.65 -35.92 81.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.95 HD12 ' HA ' ' A' ' 32' ' ' LEU . 9.1 mt -68.33 -48.41 73.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -68.93 -29.44 67.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 111.035 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.446 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 75.6 p -63.35 -36.74 84.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.985 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -69.66 -12.5 61.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.301 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.74 HG11 ' HA ' ' A' ' 73' ' ' ALA . 2.5 t -104.01 7.04 10.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.446 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 139.97 -178.37 19.85 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.503 1.127 . . . . 0.0 110.983 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 121.24 6.46 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.508 1.793 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.951 HG11 ' HG3' ' A' ' 33' ' ' LYS . 24.4 t -92.37 139.07 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.485 ' CG2' ' HB2' ' A' ' 65' ' ' GLN . 47.4 t -94.19 -70.47 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.88 171.76 14.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.0 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.591 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.5 OUTLIER -166.05 114.63 0.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 111.0 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.99 128.68 40.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.832 HD11 ' CE2' ' A' ' 49' ' ' TYR . 4.1 pp -113.68 178.21 4.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.987 HG21 ' CE2' ' A' ' 59' ' ' TYR . 2.8 m -86.9 121.54 37.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.832 ' CE2' HD11 ' A' ' 47' ' ' LEU . 1.1 m-85 -123.45 119.87 31.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.979 ' HB3' HG22 ' A' ' 53' ' ' THR . 3.9 m-20 -77.6 110.12 12.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -71.77 -27.01 62.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -68.07 -31.9 71.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.979 HG22 ' HB3' ' A' ' 50' ' ' ASP . 8.1 t -111.82 -3.08 15.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.414 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 53.48 17.93 6.78 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.453 1.095 . . . . 0.0 110.964 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.604 ' H ' HG23 ' A' ' 53' ' ' THR . 0.3 OUTLIER -117.82 146.42 38.86 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.46 0.741 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.583 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 18.3 Cg_endo -75.01 137.43 21.69 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.498 1.788 . . . . 0.0 110.964 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.864 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -52.86 -58.09 8.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 143.06 -17.27 2.34 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.512 1.132 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.987 ' CE2' HG21 ' A' ' 48' ' ' VAL . 29.4 p90 -125.75 156.51 39.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.76 . . . . 0.0 110.947 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.481 ' HA3' ' CB ' ' A' ' 47' ' ' LEU . . . -165.3 -169.5 29.01 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.498 1.124 . . . . 0.0 111.041 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.553 ' CE2' ' HG ' ' A' ' 101' ' ' LEU . 33.9 m-85 -132.44 137.44 47.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.76 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.591 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 34.1 t -113.69 124.95 53.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 108.281 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -99.13 123.43 43.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.258 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.664 ' CE1' HG22 ' A' ' 69' ' ' THR . 2.0 m-85 -92.61 -167.53 1.77 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.995 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.485 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . 0.3 OUTLIER -113.1 -13.66 13.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 110.33 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -141.12 132.92 27.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -57.38 -38.35 74.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.86 -38.16 89.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.664 HG22 ' CE1' ' A' ' 64' ' ' TYR . 64.1 m -66.74 -41.28 88.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.375 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.424 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . . . -66.49 -39.19 88.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.527 ' C ' HD12 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -69.34 -48.55 61.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.601 1.188 . . . . 0.0 109.277 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.418 ' N ' ' HG ' ' A' ' 71' ' ' LEU . 7.5 t -59.95 -38.06 81.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.74 ' HA ' HG11 ' A' ' 39' ' ' VAL . . . -66.39 -38.23 87.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.622 ' HG2' HG12 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -62.6 -46.58 87.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.995 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -77.44 -25.99 51.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 22.1 m-20 -74.98 -35.22 62.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.564 HD11 HG21 ' A' ' 39' ' ' VAL . 1.5 mt -103.17 -91.2 0.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 74' ' ' MET . 2.5 t30 36.01 87.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 79.95 37.56 21.95 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.22 120.91 28.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.72 137.84 58.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.28 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.906 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 58.0 t80 -167.22 134.71 2.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 111.032 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.12 14.42 5.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.024 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 90.56 16.27 55.36 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 82' ' ' PHE . 11.7 mtt180 -140.71 149.0 41.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 0.787 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -79.74 140.79 36.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 1.066 HD11 HD21 ' A' ' 32' ' ' LEU . 2.2 mm? -100.44 96.26 7.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -71.9 103.08 3.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 110.317 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.622 HG12 ' HG2' ' A' ' 74' ' ' MET . 21.9 t -106.61 122.9 61.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.27 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 91' ' ' ASN . 0.0 OUTLIER -139.61 138.66 36.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.457 HD22 ' HB3' ' A' ' 93' ' ' ALA . 1.7 t30 -38.93 120.19 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.464 ' CB ' ' HB3' ' A' ' 17' ' ' SER . . . -59.63 -22.72 62.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.457 ' HB3' HD22 ' A' ' 91' ' ' ASN . . . -91.47 37.87 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.414 ' HB2' ' ND2' ' A' ' 97' ' ' ASN . 0.4 OUTLIER -86.58 153.78 21.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.97 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -63.92 -36.65 84.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.306 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -81.2 -33.63 32.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.108 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.468 ' O ' HD12 ' A' ' 101' ' ' LEU . 63.9 m-20 -72.16 -19.69 61.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.29 -46.04 85.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.352 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.3 -36.93 81.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.521 ' OE2' ' CE1' ' A' ' 19' ' ' PHE . 16.3 tt0 -71.53 -42.04 68.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.268 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.553 ' HG ' ' CE2' ' A' ' 61' ' ' PHE . 0.6 OUTLIER -62.69 -32.79 73.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.56 -29.38 10.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.0 m -85.49 -38.03 19.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.992 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.602 HD13 ' CG1' ' A' ' 48' ' ' VAL . 2.3 tp -79.71 1.2 27.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 106' ' ' THR . . . -90.78 161.8 28.51 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.464 1.102 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 105' ' ' GLY . 82.3 p 44.8 -169.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.757 . . . . 0.0 110.429 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 83.03 -48.44 4.03 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.513 1.133 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 40.57 81.66 0.24 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.568 0.805 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 169.0 23.59 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.495 1.787 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 11.7 p -120.49 147.94 23.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 8.2 mt . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 163.98 34.3 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.448 1.762 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.65 60.58 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 38.8 t -71.19 -32.79 48.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.36 -34.64 72.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -57.26 -36.84 71.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 1.007 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 13.3 m -61.4 -32.04 71.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.1 . . . . 0.0 109.954 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.544 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -67.23 -19.81 65.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.454 ' NH2' ' O ' ' A' ' 64' ' ' TYR . 17.4 mtp180 -109.75 -159.11 0.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.503 ' O ' ' CB ' ' A' ' 92' ' ' ALA . 3.5 m 60.54 124.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 110.044 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.448 HG12 ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -123.66 125.33 71.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.437 1.086 . . . . 0.0 109.301 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.562 ' CE2' ' HG3' ' A' ' 100' ' ' GLU . 2.0 t80 -77.6 129.23 35.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.813 HG12 HD11 ' A' ' 23' ' ' ILE . 2.6 t -123.75 132.97 70.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -142.39 -173.72 14.47 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.526 1.141 . . . . 0.0 110.967 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.435 ' ND2' ' O ' ' A' ' 86' ' ' ALA . 6.0 t30 61.24 24.92 14.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 0.773 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.813 HD11 HG12 ' A' ' 20' ' ' VAL . 2.4 mt -96.94 114.73 65.1 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 178.86 6.69 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.476 1.777 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -73.9 -5.87 43.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.423 ' CB ' ' OG ' ' A' ' 83' ' ' SER . 1.8 mm-40 -86.02 -9.73 56.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.336 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.513 ' HB3' HG22 ' A' ' 23' ' ' ILE . . . -118.43 99.11 6.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 1.027 ' O ' HD22 ' A' ' 32' ' ' LEU . 14.7 p -90.95 174.05 7.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.45 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.774 ' OE2' HD21 ' A' ' 47' ' ' LEU . 7.1 mt-10 -58.04 -30.55 66.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.334 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -61.44 -33.35 73.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -89.56 -44.79 9.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.027 HD22 ' O ' ' A' ' 28' ' ' THR . 0.2 OUTLIER -57.63 -49.35 76.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.471 ' HD2' ' CG2' ' A' ' 42' ' ' VAL . 13.3 tttp -61.92 -37.41 84.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.89 -39.58 90.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.664 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 8.5 mt -67.61 -47.55 79.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.526 ' HB3' HG11 ' A' ' 42' ' ' VAL . 3.3 m-85 -68.51 -27.78 66.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.978 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.547 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 52.0 m -62.92 -33.05 74.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.993 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -63.93 -15.85 60.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 0.0 110.273 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.956 HG11 ' CA ' ' A' ' 73' ' ' ALA . 46.7 t -105.34 7.94 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.547 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 127.96 173.2 13.4 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.451 1.094 . . . . 0.0 110.966 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 120.6 6.15 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.519 1.799 . . . . 0.0 111.037 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.625 HG12 ' CE1' ' A' ' 64' ' ' TYR . 2.5 m -85.48 122.49 38.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.566 HG23 ' HB2' ' A' ' 65' ' ' GLN . 2.0 t -56.16 -55.94 15.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.87 153.49 16.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.026 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.571 ' CE2' ' HB2' ' A' ' 62' ' ' CYS . 0.5 OUTLIER -136.29 117.9 14.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 111.015 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.845 ' C ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -121.25 130.56 53.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.323 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.845 HD13 ' C ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -115.77 167.69 10.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.257 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.076 HG21 ' CE2' ' A' ' 59' ' ' TYR . 2.9 m -86.28 121.56 37.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.546 ' HE1' HD23 ' A' ' 47' ' ' LEU . 2.8 m-85 -123.0 120.25 32.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 111.002 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 54' ' ' GLY . 5.3 m-20 -73.65 107.37 5.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -73.48 -25.94 60.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.77 -31.69 71.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.513 ' CG2' ' HB2' ' A' ' 55' ' ' LYS . 0.7 OUTLIER -111.47 -8.82 14.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.405 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 63.13 17.86 59.58 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.528 1.143 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.513 ' HB2' ' CG2' ' A' ' 53' ' ' THR . 0.7 OUTLIER -118.18 146.24 38.88 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.558 0.799 . . . . 0.0 109.283 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . 18.3 Cg_endo -75.03 137.57 21.83 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.783 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.922 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -52.94 -58.74 5.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 141.03 -17.06 2.76 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.12 . . . . 0.0 111.032 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 1.076 ' CE2' HG21 ' A' ' 48' ' ' VAL . 37.0 p90 -125.86 157.06 38.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 0.753 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -161.56 -174.15 31.08 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.515 1.134 . . . . 0.0 111.037 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.574 ' CE2' ' HG ' ' A' ' 101' ' ' LEU . 87.2 m-85 -131.78 138.08 48.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 0.76 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.571 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 24.2 t -112.44 123.88 51.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 108.277 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -99.8 123.26 43.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.625 ' CE1' HG12 ' A' ' 42' ' ' VAL . 18.8 m-85 -101.38 -173.7 2.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.566 ' HB2' HG23 ' A' ' 43' ' ' VAL . 3.2 tp60 -110.7 -29.82 7.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -115.35 131.42 56.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -60.06 -39.95 87.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.332 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.14 -37.54 87.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 39' ' ' VAL . 72.6 m -65.75 -44.95 84.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.427 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.408 ' HB2' ' HB2' ' A' ' 64' ' ' TYR . . . -67.79 -39.4 84.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.48 HD23 ' CE ' ' A' ' 74' ' ' MET . 5.5 mt -67.8 -40.58 83.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.42 1.075 . . . . 0.0 109.352 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.454 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 5.7 t -63.69 -38.63 91.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.956 ' CA ' HG11 ' A' ' 39' ' ' VAL . . . -66.87 -38.16 85.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.614 ' HG2' HG12 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -64.48 -46.08 84.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.123 . . . . 0.0 110.978 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.41 -26.16 51.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.459 ' C ' HD12 ' A' ' 77' ' ' LEU . 1.0 OUTLIER -75.8 -36.56 59.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.251 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.562 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.4 OUTLIER -101.06 -91.06 0.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 74' ' ' MET . 2.6 t30 37.85 89.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.347 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 69.43 37.15 78.86 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.403 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -81.98 121.09 26.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 0.743 . . . . 0.0 110.269 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.4 137.48 56.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.268 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.664 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 38.1 t80 -178.0 116.42 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 82' ' ' PHE . 3.1 t 84.19 13.25 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.036 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 90.71 16.31 55.03 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.422 ' HB3' ' ND2' ' A' ' 22' ' ' ASN . 0.1 OUTLIER -150.14 154.17 37.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 0.793 . . . . 0.0 110.316 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.435 ' O ' ' ND2' ' A' ' 22' ' ' ASN . . . -82.56 138.97 34.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.79 HD13 HG12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -95.33 92.65 6.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.29 120.09 10.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.614 HG12 ' HG2' ' A' ' 74' ' ' MET . 24.9 t -125.66 126.08 69.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -139.24 154.93 48.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.452 ' N ' ' SD ' ' A' ' 74' ' ' MET . 0.5 OUTLIER -60.33 133.78 56.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -68.0 -14.44 62.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 1.007 ' HB2' ' O ' ' A' ' 14' ' ' SER . . . -87.49 13.5 9.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.1 m -79.02 139.32 38.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.011 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -59.97 -36.66 77.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.335 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -74.73 -33.91 62.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.624 ' O ' HD12 ' A' ' 101' ' ' LEU . 10.2 m-20 -72.55 -19.16 61.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.05 -29.72 71.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.355 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -67.23 -43.77 81.17 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.531 1.145 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.562 ' HG3' ' CE2' ' A' ' 19' ' ' PHE . 11.0 mm-40 -71.82 -42.99 66.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.357 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.624 HD12 ' O ' ' A' ' 97' ' ' ASN . 0.4 OUTLIER -62.1 -32.83 73.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.67 -31.65 7.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.1 t -85.84 -34.71 20.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.028 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.969 HD21 HG13 ' A' ' 48' ' ' VAL . 2.1 mm? -79.39 -4.69 52.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 101' ' ' LEU . . . -69.46 166.37 48.66 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.484 1.115 . . . . 0.0 111.064 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.5 t -38.91 111.96 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 110.455 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -123.39 -112.61 2.06 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.544 1.153 . . . . 0.0 111.03 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -136.65 156.03 76.44 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.545 0.791 . . . . 0.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -88.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.466 1.772 . . . . 0.0 110.96 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.6 p -122.89 151.47 27.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.335 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.623 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 4.0 t0 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.724 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 18.2 Cg_endo -74.98 -68.69 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.493 1.786 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.724 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 160.56 -26.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.5 t -76.05 -30.64 20.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.42 -34.37 70.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.505 ' C ' ' CD ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -56.94 -35.6 69.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.262 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.432 ' N ' ' HG3' ' A' ' 13' ' ' ARG . 74.3 m -61.31 -40.41 94.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.027 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.586 ' N ' HD22 ' A' ' 15' ' ' LEU . 1.6 mm? -69.41 -14.56 62.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -107.36 69.03 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.297 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.445 ' HB3' ' CB ' ' A' ' 92' ' ' ALA . 10.4 m -177.23 134.53 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.004 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -123.17 125.41 71.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.707 ' CD1' ' CZ ' ' A' ' 61' ' ' PHE . 14.5 t80 -80.12 129.12 34.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.972 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.931 HG13 HD11 ' A' ' 23' ' ' ILE . 0.3 OUTLIER -116.09 132.97 64.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.5 ' O ' ' CB ' ' A' ' 22' ' ' ASN . . . -156.77 160.02 30.0 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 21' ' ' GLY . 26.3 t30 81.51 36.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 0.748 . . . . 0.0 109.328 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.94 HG23 ' CD2' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -113.05 146.01 34.28 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.836 ' HD2' HG22 ' A' ' 23' ' ' ILE . 18.5 Cg_endo -75.0 -162.49 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.781 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -98.6 -24.9 14.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 111.007 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.31 -9.31 46.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.552 ' HB1' HD11 ' A' ' 32' ' ' LEU . . . -107.79 96.93 6.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.54 ' O ' HD13 ' A' ' 32' ' ' LEU . 4.6 p -89.91 174.36 7.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.401 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.407 ' OE1' ' O ' ' A' ' 45' ' ' PHE . 8.4 mt-10 -57.7 -30.75 65.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.04 -33.18 75.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.34 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -87.14 -45.14 10.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.285 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.826 ' HA ' HD12 ' A' ' 35' ' ' ILE . 11.0 mp -59.09 -49.08 79.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.882 ' HG3' HG11 ' A' ' 42' ' ' VAL . 1.9 tttt -58.0 -37.5 74.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.83 -36.79 80.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.927 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 9.6 mt -68.26 -47.89 76.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.449 ' CE2' ' HB3' ' A' ' 62' ' ' CYS . 3.9 m-85 -68.83 -33.08 73.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.537 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 69.0 m -64.8 -32.88 74.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 110.018 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.441 ' HG2' HG23 ' A' ' 39' ' ' VAL . 2.0 pt-20 -64.46 -13.2 50.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.948 HG11 ' HA ' ' A' ' 73' ' ' ALA . 7.8 t -104.98 7.12 10.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.537 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 141.77 -177.31 21.4 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.493 1.121 . . . . 0.0 111.059 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 116.31 4.55 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.529 1.805 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.882 HG11 ' HG3' ' A' ' 33' ' ' LYS . 3.3 t -85.94 122.34 38.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.466 ' CG2' ' HB2' ' A' ' 65' ' ' GLN . 16.6 t -77.68 -74.78 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.24 164.84 21.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 110.006 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.584 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.5 OUTLIER -165.36 113.83 1.01 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.992 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.491 ' C ' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -132.92 135.5 45.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.567 ' CD2' ' CE1' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -112.15 171.16 7.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.852 HG12 HD13 ' A' ' 104' ' ' LEU . 3.5 m -86.43 129.48 38.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.513 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 1.3 m-85 -129.6 119.72 24.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 54' ' ' GLY . 1.7 m-20 -71.04 108.44 4.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.418 ' HB3' ' NH1' ' A' ' 51' ' ' ARG . 14.5 mtp-105 -73.72 -30.5 62.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.298 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -71.45 -32.42 68.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.5 m -105.79 -4.28 21.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 110.43 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 54.22 17.45 7.91 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 3.9 mmtt -117.78 145.42 36.51 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.521 0.777 . . . . 0.0 109.263 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . 18.2 Cg_endo -74.98 137.74 22.17 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.446 1.761 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.845 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -53.73 -57.22 11.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.557 1.16 . . . . 0.0 109.273 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 138.49 -19.45 3.19 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.535 1.147 . . . . 0.0 111.022 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.776 ' O ' HG22 ' A' ' 48' ' ' VAL . 1.9 p90 -123.04 159.22 28.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.769 . . . . 0.0 110.947 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.464 ' CA ' ' HA ' ' A' ' 47' ' ' LEU . . . -158.83 -171.61 24.87 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.707 ' CZ ' ' CD1' ' A' ' 19' ' ' PHE . 84.0 m-85 -132.2 141.92 49.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 0.795 . . . . 0.0 111.014 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.584 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 36.5 t -124.35 121.33 34.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 108.28 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.427 ' HA ' ' HA ' ' A' ' 17' ' ' SER . 4.7 tt0 -100.2 123.32 44.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.466 ' CD2' ' HA ' ' A' ' 70' ' ' ALA . 18.4 m-85 -93.4 -170.41 2.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.466 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . 4.4 tt0 -113.2 -15.51 12.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.96 131.61 47.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.638 ' OE1' HD12 ' A' ' 71' ' ' LEU . 2.2 tm0? -62.32 -44.78 95.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.322 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -59.68 -37.52 79.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 24.5 m -67.19 -41.21 86.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.411 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.466 ' HA ' ' CD2' ' A' ' 64' ' ' TYR . . . -67.76 -39.79 84.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.638 HD12 ' OE1' ' A' ' 67' ' ' GLN . 6.5 mt -69.2 -44.29 72.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.451 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 8.7 t -63.05 -37.68 88.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.013 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.948 ' HA ' HG11 ' A' ' 39' ' ' VAL . . . -66.89 -37.87 85.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.239 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.694 ' HG2' HG12 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -63.23 -47.29 83.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -78.19 -26.26 47.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 72' ' ' SER . 69.5 m-20 -76.94 -32.15 57.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.6 HD12 ' O ' ' A' ' 73' ' ' ALA . 1.9 mt -105.02 -90.82 0.4 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 74' ' ' MET . 2.1 t-20 37.06 88.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 75.76 38.81 35.73 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.524 1.14 . . . . 0.0 110.949 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.95 120.66 25.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -61.04 135.1 57.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.323 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.927 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 34.6 t80 -171.41 118.59 0.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 111.037 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 82' ' ' PHE . 0.1 OUTLIER 78.76 14.58 1.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.992 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 90.6 16.35 55.15 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.512 1.133 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.3 mtt180 -145.35 153.03 40.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 0.74 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.1 138.65 31.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.94 ' CD2' HG23 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -91.69 91.01 7.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.436 ' CB ' ' O ' ' A' ' 21' ' ' GLY . 2.0 ttt180 -62.46 100.7 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 87' ' ' LEU . 24.2 t -106.48 122.85 60.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 91' ' ' ASN . 0.0 OUTLIER -140.04 139.23 35.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.525 HD22 ' HB3' ' A' ' 93' ' ' ALA . 1.9 t30 -39.06 130.17 1.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.445 ' CB ' ' HB3' ' A' ' 17' ' ' SER . . . -66.45 -21.68 66.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.525 ' HB3' HD22 ' A' ' 91' ' ' ASN . . . -89.35 41.3 1.03 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.24 150.44 20.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 109.978 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -36.55 84.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -81.22 -33.63 32.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.28 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.682 ' O ' HD12 ' A' ' 101' ' ' LEU . 42.1 m-20 -72.19 -21.83 61.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.28 -35.68 81.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -66.57 -39.52 88.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.506 ' HG2' ' CZ ' ' A' ' 59' ' ' TYR . 0.4 OUTLIER -71.64 -43.74 65.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.284 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.682 HD12 ' O ' ' A' ' 97' ' ' ASN . 0.4 OUTLIER -62.67 -32.87 74.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.4 tptm -56.19 -30.1 61.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.1 m -85.74 -34.14 21.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 110.007 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.852 HD13 HG12 ' A' ' 48' ' ' VAL . 6.2 tp -79.45 0.56 28.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -91.68 63.63 2.56 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.3 t -166.94 158.62 12.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 0.767 . . . . 0.0 110.405 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.655 ' O ' ' HB2' ' A' ' 108' ' ' ALA . . . -157.68 167.14 34.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.527 1.142 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.796 ' HB3' ' HD3' ' A' ' 109' ' ' PRO . . . 165.05 -53.13 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.505 0.767 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.796 ' HD3' ' HB3' ' A' ' 108' ' ' ALA . 18.2 Cg_endo -75.01 102.29 1.57 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.552 1.817 . . . . 0.0 110.961 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 11.2 p -137.55 148.08 26.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.4 pt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.509 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 8' ' ' ASP . 18.1 Cg_endo -75.01 -81.94 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.502 1.79 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -158.57 62.32 0.43 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.593 ' O ' HD12 ' A' ' 15' ' ' LEU . 29.3 t -70.23 -32.46 50.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.1 -39.64 82.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.435 1.084 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -40.92 89.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.58 ' CB ' ' HB2' ' A' ' 93' ' ' ALA . 0.6 OUTLIER -64.56 -31.9 73.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 110.006 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.593 HD12 ' O ' ' A' ' 11' ' ' VAL . 0.8 OUTLIER -69.42 -16.74 63.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.113 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.596 ' O ' ' HB1' ' A' ' 70' ' ' ALA . 11.5 mtm-85 -95.96 -65.14 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.262 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.695 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 3.0 p -39.2 116.88 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.023 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.541 HG12 ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -111.98 125.05 69.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 109.349 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.404 ' CE1' ' OE1' ' A' ' 100' ' ' GLU . 10.7 t80 -79.36 129.93 34.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.97 HG12 HD11 ' A' ' 23' ' ' ILE . 12.4 t -117.89 132.96 66.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -135.57 -175.67 13.96 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.473 1.108 . . . . 0.0 110.971 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 65.0 t30 60.58 26.71 16.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 109.269 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.998 HD13 HD21 ' A' ' 32' ' ' LEU . 2.0 mt -98.82 118.15 63.37 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 179.65 5.87 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.479 1.779 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -74.53 -11.19 60.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -83.62 -9.7 58.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.33 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.711 ' HB3' HG22 ' A' ' 23' ' ' ILE . . . -110.79 96.06 5.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.1 p -90.13 173.94 7.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.402 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.814 ' CG ' HD11 ' A' ' 47' ' ' LEU . 4.6 mt-10 -57.7 -30.49 65.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 110.317 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -63.1 -32.96 74.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -87.61 -46.19 9.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.282 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.998 HD21 HD13 ' A' ' 23' ' ' ILE . 10.0 mp -58.29 -49.72 76.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.84 ' HG3' HG11 ' A' ' 42' ' ' VAL . 4.3 ttmt -58.18 -37.45 74.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.26 -35.63 78.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.919 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 11.1 mt -67.86 -48.67 74.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.671 ' CE2' HG21 ' A' ' 20' ' ' VAL . 0.8 OUTLIER -69.75 -29.74 67.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 110.993 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.434 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 97.5 p -63.16 -33.03 74.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.963 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.42 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 12.9 tt0 -64.45 -12.38 42.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.941 HG11 ' HA ' ' A' ' 73' ' ' ALA . 2.5 t -103.78 7.43 9.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.434 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 132.11 -171.41 21.43 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 113.46 3.8 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.467 1.772 . . . . 0.0 110.989 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.84 HG11 ' HG3' ' A' ' 33' ' ' LYS . 4.5 p -85.87 122.14 38.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.456 ' CG2' ' C ' ' A' ' 64' ' ' TYR . 84.4 t -65.52 -70.54 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 t -151.83 160.85 43.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.005 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.591 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.7 OUTLIER -142.91 115.98 8.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 110.988 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.701 ' C ' HD13 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -117.1 134.36 54.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.292 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.814 HD11 ' CG ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -123.17 168.63 12.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.018 HG12 HD13 ' A' ' 104' ' ' LEU . 4.0 m -86.12 121.4 37.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.632 ' CE1' HD23 ' A' ' 47' ' ' LEU . 1.3 m-85 -125.07 119.18 27.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.97 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 54' ' ' GLY . 0.2 OUTLIER -72.16 108.99 5.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.5 mtt85 -73.02 -29.98 63.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.265 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.95 -32.0 68.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.303 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.28 -3.27 19.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.384 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 50.96 19.46 3.57 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.456 1.098 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 0.2 OUTLIER -118.01 144.97 35.75 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.509 0.77 . . . . 0.0 109.321 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.555 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 18.3 Cg_endo -74.97 137.6 22.01 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.477 1.778 . . . . 0.0 111.011 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.879 ' HB2' HG23 ' A' ' 48' ' ' VAL . 3.9 mmtt -56.97 -58.27 8.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 137.17 -15.64 3.7 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.536 1.147 . . . . 0.0 110.988 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.998 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 52.6 p90 -125.85 158.02 36.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 0.749 . . . . 0.0 111.02 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.408 ' HA3' ' HA ' ' A' ' 47' ' ' LEU . . . -169.12 -170.73 34.07 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.133 . . . . 0.0 110.994 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.572 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 55.2 m-85 -131.96 137.26 47.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 0.781 . . . . 0.0 110.925 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.591 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 7.9 t -113.51 122.34 46.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 108.297 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -99.24 127.85 45.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 110.283 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.459 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 7.3 m-85 -97.36 -169.68 1.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 110.979 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.446 ' N ' HG23 ' A' ' 43' ' ' VAL . 9.1 tt0 -105.88 -20.03 13.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -135.83 132.68 36.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.475 HE22 HD13 ' A' ' 15' ' ' LEU . 7.2 tt0 -57.2 -37.5 72.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.311 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -38.12 89.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.1 m -68.05 -41.79 81.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.411 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.596 ' HB1' ' O ' ' A' ' 16' ' ' ARG . . . -68.06 -39.43 82.97 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 mt -69.25 -43.59 73.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.143 . . . . 0.0 109.317 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.453 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 3.9 m -63.13 -38.39 90.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.043 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.941 ' HA ' HG11 ' A' ' 39' ' ' VAL . . . -66.66 -38.14 86.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.712 ' HG2' HG12 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -62.98 -47.1 84.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 111.018 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 45.0 ttt-85 -77.72 -25.38 49.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 72' ' ' SER . 1.0 OUTLIER -76.83 -32.92 57.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.332 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.687 HD11 HG21 ' A' ' 39' ' ' VAL . 6.8 mp -106.41 -92.54 0.39 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.525 ' CB ' ' O ' ' A' ' 74' ' ' MET . 2.4 t30 37.35 86.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 80.82 35.73 24.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.442 1.089 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.595 HH21 HG23 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -87.4 121.09 29.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 0.79 . . . . 0.0 110.316 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.24 140.7 55.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.919 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 40.1 t80 -170.72 120.04 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.75 15.46 4.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.157 . . . . 0.0 110.01 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 90.63 16.28 55.23 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.474 1.108 . . . . 0.0 110.988 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 82' ' ' PHE . 2.7 mmp_? -141.33 149.39 41.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 0.756 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.39 136.09 34.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.804 HD23 ' CG1' ' A' ' 20' ' ' VAL . 0.2 OUTLIER -92.09 91.67 7.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.13 98.95 0.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.338 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.712 HG12 ' HG2' ' A' ' 74' ' ' MET . 46.0 t -106.87 120.89 58.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.45 ' N ' ' OD1' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -141.8 154.17 45.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.439 HD22 ' HB3' ' A' ' 93' ' ' ALA . 0.8 OUTLIER -45.91 117.77 1.62 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.695 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -62.66 -13.49 32.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.58 ' HB2' ' CB ' ' A' ' 14' ' ' SER . . . -98.91 36.44 1.69 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.68 154.97 28.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.975 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -67.94 -36.62 80.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -77.45 -33.74 54.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.784 ' OD1' HD12 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -69.74 -16.33 63.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -30.37 68.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 109.31 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.69 -39.46 73.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.404 ' OE1' ' CE1' ' A' ' 19' ' ' PHE . 7.1 mt-10 -72.34 -44.09 63.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.784 HD12 ' OD1' ' A' ' 97' ' ' ASN . 3.2 mt -61.24 -37.98 84.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -44.84 -30.99 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.83 -36.47 20.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.953 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 1.018 HD13 HG12 ' A' ' 48' ' ' VAL . 2.4 tp -84.46 7.6 19.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 101' ' ' LEU . . . -40.69 118.95 1.28 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.483 1.115 . . . . 0.0 110.963 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 67.0 p 38.72 -96.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 0.787 . . . . 0.0 110.426 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 105' ' ' GLY . . . 83.81 -164.48 41.11 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.482 1.113 . . . . 0.0 110.975 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -176.45 88.57 0.27 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.548 0.793 . . . . 0.0 109.283 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 139.74 24.61 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.513 1.796 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 11.8 p -120.49 138.95 49.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 1.1 pt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.498 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 8' ' ' ASP . 18.2 Cg_endo -75.01 -161.46 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.488 1.783 . . . . 0.0 110.97 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.39 49.27 1.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.48 ' CG2' ' HG2' ' A' ' 9' ' ' PRO . 47.7 t -73.21 -32.97 40.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.74 -34.99 69.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 -57.45 -36.95 72.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.282 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.32 -34.17 74.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 110.012 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.47 ' HB3' ' CG ' ' A' ' 67' ' ' GLN . 0.2 OUTLIER -69.34 -15.99 63.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.544 ' O ' ' HB1' ' A' ' 70' ' ' ALA . 30.0 mtp180 -100.86 -66.1 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.525 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 19.5 m -36.56 114.67 0.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.981 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.434 ' HB ' ' CG1' ' A' ' 89' ' ' VAL . 0.0 OUTLIER -111.04 124.96 68.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.482 ' CE1' ' HB2' ' A' ' 59' ' ' TYR . 26.5 t80 -75.9 129.07 36.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 111.029 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.756 HG12 HD11 ' A' ' 23' ' ' ILE . 2.2 t -113.57 133.26 60.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -137.73 -176.08 14.25 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.55 1.156 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 31.1 t30 63.02 21.74 13.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 0.0 109.271 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.756 HD11 HG12 ' A' ' 20' ' ' VAL . 3.3 mt -95.48 114.43 63.88 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 109.343 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 175.55 11.08 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.492 1.785 . . . . 0.0 110.95 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -72.48 -3.1 22.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.961 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -91.54 -9.71 43.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.454 ' HB1' HD11 ' A' ' 32' ' ' LEU . . . -119.13 100.25 7.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.974 ' O ' HD22 ' A' ' 32' ' ' LEU . 10.4 p -90.53 174.28 7.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.167 . . . . 0.0 110.411 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.724 ' HG3' HD11 ' A' ' 47' ' ' LEU . 2.9 mt-10 -57.97 -29.93 65.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -60.5 -33.64 72.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -90.25 -45.15 9.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.974 HD22 ' O ' ' A' ' 28' ' ' THR . 0.2 OUTLIER -56.98 -48.86 77.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.866 ' HG3' HG11 ' A' ' 42' ' ' VAL . 3.1 ttpm? -61.29 -37.83 84.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -64.99 -39.98 94.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.929 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 6.6 mt -68.16 -46.34 81.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.594 ' CE1' HD13 ' A' ' 77' ' ' LEU . 3.6 m-85 -67.4 -29.25 68.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.568 ' HA ' HG23 ' A' ' 42' ' ' VAL . 52.8 p -63.24 -38.15 90.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.027 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -64.75 -12.31 45.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.917 HG11 ' HA ' ' A' ' 73' ' ' ALA . 2.0 t -103.77 7.52 9.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.454 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 136.58 -177.78 19.38 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 122.9 7.52 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.504 1.792 . . . . 0.0 110.999 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.866 HG11 ' HG3' ' A' ' 33' ' ' LYS . 50.0 t -89.53 122.44 40.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.7 HG11 ' OE2' ' A' ' 63' ' ' GLU . 3.1 t -80.04 -68.71 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.437 1.086 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.418 ' N ' HG12 ' A' ' 43' ' ' VAL . 0.1 OUTLIER -135.42 169.81 16.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.972 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.589 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.6 OUTLIER -171.07 113.63 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.9 mmt85 -130.84 134.0 46.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 110.256 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.724 HD11 ' HG3' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -110.61 167.34 10.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.038 HG12 HD13 ' A' ' 104' ' ' LEU . 3.7 m -86.48 121.41 37.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.57 ' HE2' HD13 ' A' ' 47' ' ' LEU . 1.2 m-85 -123.45 119.12 29.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 111.049 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 54' ' ' GLY . 73.8 m-20 -70.88 108.65 4.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 -73.22 -29.85 63.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.286 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -70.92 -32.18 69.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.36 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.467 HG22 ' CD ' ' A' ' 55' ' ' LYS . 5.3 m -106.76 -4.51 19.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.413 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 54.53 17.07 7.89 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.467 ' CD ' HG22 ' A' ' 53' ' ' THR . 4.3 mttp -118.0 145.44 36.82 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.531 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . 18.4 Cg_endo -75.02 137.73 22.05 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.466 1.772 . . . . 0.0 111.03 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.861 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -54.29 -57.65 10.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 139.17 -16.82 3.19 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.473 1.108 . . . . 0.0 111.044 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.949 ' CE2' HG21 ' A' ' 48' ' ' VAL . 40.8 p90 -125.54 156.95 38.25 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.567 0.804 . . . . 0.0 110.98 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -158.02 -171.08 23.5 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.451 1.095 . . . . 0.0 111.03 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.577 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 96.5 m-85 -132.48 137.91 47.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 0.0 111.014 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.589 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 38.7 t -118.77 120.51 37.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 108.308 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.7 ' OE2' HG11 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -100.29 123.36 44.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.767 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 32.1 m-85 -98.33 -170.53 1.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 111.03 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.411 ' CG ' ' N ' ' A' ' 66' ' ' ASP . 9.9 pt20 -100.54 -43.18 6.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.411 ' N ' ' CG ' ' A' ' 65' ' ' GLN . 0.2 OUTLIER -101.82 140.1 36.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.47 ' CG ' ' HB3' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -64.86 -48.15 75.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -60.92 -37.17 81.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.312 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 87.4 m -66.64 -42.35 86.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 110.434 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.767 ' HB2' ' HB2' ' A' ' 64' ' ' TYR . . . -68.14 -39.7 82.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.603 HD23 ' CE ' ' A' ' 74' ' ' MET . 0.3 OUTLIER -69.61 -40.95 76.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.449 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 24.0 p -67.77 -37.94 82.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.994 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.923 ' O ' HD12 ' A' ' 77' ' ' LEU . . . -66.72 -37.34 84.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.603 ' CE ' HD23 ' A' ' 71' ' ' LEU . 0.3 OUTLIER -66.36 -46.79 75.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.996 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.442 ' N ' ' HG2' ' A' ' 74' ' ' MET . 0.0 OUTLIER -76.75 -27.02 55.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.3 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 72' ' ' SER . 74.1 m-20 -77.34 -35.75 54.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.431 1.082 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.923 HD12 ' O ' ' A' ' 73' ' ' ALA . 1.2 mt -86.19 -40.82 15.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.57 1.169 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.468 ' CB ' ' O ' ' A' ' 74' ' ' MET . 11.3 t-20 -53.97 90.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . 115.25 23.06 4.64 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.469 1.105 . . . . 0.0 110.996 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -106.12 120.46 41.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 0.796 . . . . 0.0 110.283 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -71.05 138.61 49.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.929 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 39.8 t80 -170.22 149.95 3.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 52.92 21.77 2.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.98 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.42 16.05 78.76 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.461 1.101 . . . . 0.0 111.005 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 22.0 mtt180 -145.68 152.73 40.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 0.752 . . . . 0.0 110.314 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.55 149.48 44.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.41 ' O ' ' O ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -109.04 99.27 8.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.334 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 20.5 mtp180 -88.61 122.78 32.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.558 HG21 ' HB2' ' A' ' 77' ' ' LEU . 6.5 t -125.63 127.91 71.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -139.04 146.6 41.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.726 HD22 ' HB3' ' A' ' 93' ' ' ALA . 1.4 t30 -42.0 128.83 3.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -70.06 -8.12 46.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.726 ' HB3' HD22 ' A' ' 91' ' ' ASN . . . -92.31 26.97 2.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.422 ' HB2' ' ND2' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -79.87 152.02 29.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.025 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.436 ' CA ' ' OE1' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -59.98 -36.66 77.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.351 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.25 -33.48 32.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.838 ' O ' HD12 ' A' ' 101' ' ' LEU . 78.8 m-20 -72.0 -19.79 61.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.74 -46.18 72.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -62.0 -35.74 79.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.547 ' HG2' ' CE2' ' A' ' 59' ' ' TYR . 1.2 tp10 -71.56 -42.65 67.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.838 HD12 ' O ' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -62.8 -32.95 74.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.3 mttp -51.74 -29.05 17.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.5 t -85.58 -38.15 18.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.979 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 1.038 HD13 HG12 ' A' ' 48' ' ' VAL . 2.8 tp -79.42 -3.49 46.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 101' ' ' LEU . . . -47.97 169.95 0.07 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.509 1.13 . . . . 0.0 111.033 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 10.1 t -100.92 160.67 14.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 0.747 . . . . 0.0 110.433 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 173.23 -93.51 0.1 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.534 1.146 . . . . 0.0 111.046 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -141.78 68.74 24.46 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -45.76 0.27 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.517 1.798 . . . . 0.0 110.982 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.7 p -128.72 142.65 43.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 16.7 pt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.954 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.564 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.564 ' HD3' ' CB ' ' A' ' 8' ' ' ASP . 18.3 Cg_endo -75.03 88.5 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.462 1.77 . . . . 0.0 110.979 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.03 5.55 32.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.631 ' O ' HD12 ' A' ' 15' ' ' LEU . 38.8 t -70.98 -31.8 46.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.494 ' CG ' ' N ' ' A' ' 13' ' ' ARG . 1.5 p30 -65.52 -52.9 49.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.494 ' N ' ' CG ' ' A' ' 12' ' ' ASP . 5.8 mtp180 -58.34 -36.75 73.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.508 ' HB3' ' HB2' ' A' ' 93' ' ' ALA . 0.6 OUTLIER -61.75 -40.64 95.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.985 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.734 HD13 ' NE2' ' A' ' 67' ' ' GLN . 2.2 mt -70.21 -13.1 62.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.0 mtm-85 -105.11 49.33 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.254 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.577 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 12.2 p -168.4 120.57 0.82 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.985 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.545 HG12 ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -116.14 125.8 73.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.557 ' CZ ' ' OE1' ' A' ' 100' ' ' GLU . 30.7 t80 -79.19 129.13 34.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.807 HG12 HD11 ' A' ' 23' ' ' ILE . 2.1 t -116.45 133.0 64.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -146.16 -174.83 18.67 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.534 1.146 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.532 HD22 ' HB3' ' A' ' 86' ' ' ALA . 50.4 t30 59.84 29.42 18.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 0.748 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.807 HD11 HG12 ' A' ' 20' ' ' VAL . 1.6 mt -101.52 141.4 22.52 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.631 ' HD2' HG22 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.01 -162.56 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.495 1.787 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -93.92 -32.44 13.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 111.033 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.32 -9.59 48.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.272 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.683 ' HB3' HG22 ' A' ' 23' ' ' ILE . . . -100.8 91.71 4.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.567 1.167 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.4 p -90.11 174.15 7.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.364 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.46 ' HG3' ' CD2' ' A' ' 47' ' ' LEU . 20.5 mt-10 -57.84 -31.07 66.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.281 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.45 -33.63 75.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -83.87 -44.68 14.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.934 ' HA ' HD12 ' A' ' 35' ' ' ILE . 17.6 mt -58.25 -49.04 78.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.848 ' HG3' HG11 ' A' ' 42' ' ' VAL . 9.4 tttt -58.05 -37.95 75.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.89 -35.8 80.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.934 HD12 ' HA ' ' A' ' 32' ' ' LEU . 9.8 mt -68.12 -48.38 74.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.249 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.424 ' HD1' ' HH ' ' A' ' 64' ' ' TYR . 0.2 OUTLIER -69.21 -29.5 67.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 111.036 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.45 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 76.9 p -63.0 -37.14 85.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.995 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.405 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 13.1 tp10 -71.09 -12.65 61.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.726 HG11 ' HA ' ' A' ' 73' ' ' ALA . 2.1 t -104.43 7.11 10.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.45 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 135.0 -177.32 19.41 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.491 1.12 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.437 ' HD2' HG21 ' A' ' 69' ' ' THR . 18.3 Cg_endo -75.0 122.89 7.49 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.446 1.761 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.848 HG11 ' HG3' ' A' ' 33' ' ' LYS . 12.9 p -101.21 122.52 53.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.484 ' CG2' ' HB2' ' A' ' 65' ' ' GLN . 46.5 t -67.86 -72.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.99 164.19 30.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.984 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.591 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.6 OUTLIER -151.55 114.28 4.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 111.022 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -124.66 133.19 53.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.823 HD11 ' CE2' ' A' ' 49' ' ' TYR . 4.4 pp -120.27 177.74 4.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.985 HG21 ' CE2' ' A' ' 59' ' ' TYR . 2.7 m -86.41 121.62 37.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.823 ' CE2' HD11 ' A' ' 47' ' ' LEU . 1.2 m-85 -123.28 119.76 31.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' A' ' 54' ' ' GLY . 1.9 m-20 -74.1 109.24 7.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.4 mtt85 -72.46 -29.14 63.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -70.51 -32.14 69.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.345 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.2 m -107.54 -4.54 18.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.419 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 54.33 16.92 7.27 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.514 1.133 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 11.7 mmtt -118.12 146.22 38.75 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.749 . . . . 0.0 109.361 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.576 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 18.3 Cg_endo -75.0 137.39 21.66 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.473 1.775 . . . . 0.0 110.94 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.824 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -52.54 -58.16 7.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 141.81 -17.65 2.59 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.546 1.154 . . . . 0.0 111.038 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.985 ' CE2' HG21 ' A' ' 48' ' ' VAL . 33.4 p90 -125.68 156.68 38.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 0.736 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.482 ' HA3' ' CB ' ' A' ' 47' ' ' LEU . . . -165.94 -170.28 30.66 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.512 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 81.2 m-85 -132.37 138.24 47.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 0.755 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.591 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 13.0 t -116.15 122.6 45.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 108.337 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.426 ' OE2' HG11 ' A' ' 43' ' ' VAL . 3.4 tm-20 -99.47 126.11 45.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.655 ' CE1' HG22 ' A' ' 69' ' ' THR . 3.3 m-85 -96.51 -172.54 2.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.484 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -112.81 -18.7 12.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.266 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.24 134.07 53.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.734 ' NE2' HD13 ' A' ' 15' ' ' LEU . 3.9 mt-30 -64.28 -37.52 87.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -68.95 -37.39 78.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.655 HG22 ' CE1' ' A' ' 64' ' ' TYR . 97.4 m -66.66 -40.52 88.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.421 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.72 -40.62 84.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.5 mt -69.97 -41.87 73.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.456 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 6.3 t -64.83 -38.02 89.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.975 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.726 ' HA ' HG11 ' A' ' 39' ' ' VAL . . . -66.49 -38.86 88.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.727 ' HG2' HG12 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -63.13 -47.28 83.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 111.001 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -77.8 -25.19 48.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.287 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 72' ' ' SER . 46.5 m-20 -74.91 -35.64 62.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.695 HD11 HG21 ' A' ' 39' ' ' VAL . 1.4 mt -104.06 -91.86 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.529 ' CB ' ' O ' ' A' ' 74' ' ' MET . 1.4 t-20 35.8 86.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.35 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 83.21 34.74 19.87 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.54 120.63 27.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 110.332 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.425 ' HA ' ' O ' ' A' ' 85' ' ' ARG . 5.7 mt-10 -58.53 143.1 47.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.643 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 4.5 t80 178.74 130.01 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 71.09 24.08 4.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.004 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.37 5.69 89.12 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.495 1.122 . . . . 0.0 111.02 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.463 ' CD ' ' O ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER -123.83 -158.71 0.82 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 0.759 . . . . 0.0 110.277 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.532 ' HB3' HD22 ' A' ' 22' ' ' ASN . . . -126.93 143.44 51.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.268 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.862 HD11 ' CD2' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -97.31 86.9 4.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.403 ' O ' ' HA ' ' A' ' 20' ' ' VAL . 7.3 ttt180 -70.45 97.42 1.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.727 HG12 ' HG2' ' A' ' 74' ' ' MET . 42.5 t -105.05 122.5 58.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.442 ' N ' ' OD1' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -140.17 137.28 34.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.714 HD22 ' HB3' ' A' ' 93' ' ' ALA . 1.4 t30 -39.98 126.04 2.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -66.95 -10.42 49.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.714 ' HB3' HD22 ' A' ' 91' ' ' ASN . . . -91.62 25.28 2.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.87 149.59 30.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.995 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.1 -35.82 82.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.0 -33.89 33.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.772 ' O ' HD12 ' A' ' 101' ' ' LEU . 20.4 m-20 -72.33 -20.11 61.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.274 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 7.2 ttpt -64.34 -40.08 95.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.95 -35.5 80.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.261 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.557 ' OE1' ' CZ ' ' A' ' 19' ' ' PHE . 3.5 mt-10 -71.69 -43.34 66.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.772 HD12 ' O ' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -63.25 -32.47 73.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.21 -28.34 40.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.0 m -85.4 -36.21 20.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.978 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.631 HD13 ' CG1' ' A' ' 48' ' ' VAL . 2.8 tp -80.18 -9.15 59.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 101' ' ' LEU . . . 38.07 91.56 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.434 HG23 ' O ' ' A' ' 106' ' ' THR . 1.8 t -38.94 96.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 0.77 . . . . 0.0 110.437 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.688 ' O ' ' HB3' ' A' ' 108' ' ' ALA . . . 117.42 -169.31 13.13 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.485 1.116 . . . . 0.0 110.969 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' A' ' 107' ' ' GLY . . . 83.31 75.63 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.487 0.757 . . . . 0.0 109.353 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 148.14 35.02 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.524 1.802 . . . . 0.0 110.982 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.7 p -137.55 148.15 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.453 ' C ' HD13 ' A' ' 111' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.36 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.528 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.595 ' HG2' HG23 ' A' ' 11' ' ' VAL . 18.3 Cg_endo -75.03 -80.04 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.575 1.829 . . . . 0.0 111.014 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -161.22 28.6 0.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.653 HG12 ' CD1' ' A' ' 15' ' ' LEU . 44.7 t -83.87 -32.89 8.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -64.85 -51.2 63.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.67 -40.48 88.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 110.301 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.5 m -59.38 -42.8 92.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.974 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.653 ' CD1' HG12 ' A' ' 11' ' ' VAL . 10.2 mt -78.3 -10.89 59.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.502 ' O ' ' CB ' ' A' ' 17' ' ' SER . 5.9 ttm180 -98.39 79.47 2.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.323 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' A' ' 92' ' ' ALA . 1.6 m 159.76 124.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.022 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.637 HG12 ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -117.08 124.93 73.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.596 ' CD1' ' OD2' ' A' ' 90' ' ' ASP . 2.1 t80 -78.62 129.87 35.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.846 HG12 HD11 ' A' ' 23' ' ' ILE . 5.1 t -114.09 132.68 62.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -132.68 -177.25 14.81 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.464 1.102 . . . . 0.0 110.983 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 60.13 26.88 16.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 0.749 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 1.009 HD13 HD11 ' A' ' 32' ' ' LEU . 1.9 mt -99.09 114.39 65.48 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.465 ' CD ' ' HB3' ' A' ' 83' ' ' SER . 18.4 Cg_endo -74.95 178.5 7.17 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.541 1.811 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -73.41 -3.68 28.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.76 -9.86 42.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.618 ' HB3' HG22 ' A' ' 23' ' ' ILE . . . -114.97 96.39 5.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.9 p -90.57 174.43 7.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.417 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.797 ' HG3' HD11 ' A' ' 47' ' ' LEU . 47.8 mt-10 -57.85 -30.5 65.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -33.49 75.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 110.302 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -86.85 -45.71 10.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.319 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.009 HD11 HD13 ' A' ' 23' ' ' ILE . 19.2 mt -58.15 -49.36 77.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.86 -37.86 74.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.21 -37.37 87.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.953 HD12 ' HA ' ' A' ' 32' ' ' LEU . 7.2 mt -68.26 -47.69 76.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.303 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.516 ' CD1' ' OH ' ' A' ' 64' ' ' TYR . 0.3 OUTLIER -68.79 -28.21 66.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.153 . . . . 0.0 111.011 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.473 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 55.6 p -62.33 -36.12 81.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.985 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 9.3 tp10 -71.23 -13.12 61.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.434 1.084 . . . . 0.0 110.304 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.742 HG11 ' HA ' ' A' ' 73' ' ' ALA . 1.5 t -105.0 7.32 10.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.473 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 133.83 -178.2 18.5 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.507 1.129 . . . . 0.0 110.961 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.42 ' O ' ' CD2' ' A' ' 64' ' ' TYR . 18.3 Cg_endo -75.04 130.69 13.47 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.457 1.767 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.458 ' CG1' ' SG ' ' A' ' 62' ' ' CYS . 6.1 t -104.15 130.72 54.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.687 HG11 ' OE2' ' A' ' 63' ' ' GLU . 77.4 t -81.53 -75.99 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.453 ' N ' ' OE1' ' A' ' 63' ' ' GLU . 0.1 OUTLIER -132.62 168.94 17.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.986 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.595 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.7 OUTLIER -162.26 114.19 1.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.8 137.62 50.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.326 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.797 HD11 ' HG3' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -116.56 176.2 5.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.021 HG13 HD21 ' A' ' 104' ' ' LEU . 2.5 m -86.37 121.8 37.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.333 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 1.3 m-85 -123.84 120.02 31.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 54' ' ' GLY . 17.2 m-20 -74.14 109.4 7.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.7 mtp85 -72.7 -29.97 63.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.137 . . . . 0.0 110.361 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.86 -28.68 64.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.324 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 10.9 p -111.04 -3.17 15.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 110.392 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 51.57 18.82 4.06 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 0.0 OUTLIER -117.99 145.88 37.81 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.513 0.773 . . . . 0.0 109.248 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . 18.3 Cg_endo -75.04 137.56 21.79 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.524 1.802 . . . . 0.0 111.035 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.861 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -54.41 -58.17 8.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 142.32 -24.43 2.36 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.868 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 52.7 p90 -120.47 156.89 30.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 0.747 . . . . 0.0 111.01 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.606 ' HA3' HD23 ' A' ' 47' ' ' LEU . . . -159.19 -169.54 22.65 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.521 1.138 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.576 ' CE2' ' HG ' ' A' ' 101' ' ' LEU . 76.0 m-85 -132.4 137.59 47.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 0.788 . . . . 0.0 110.998 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.595 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 19.4 t -113.23 117.91 33.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.547 1.154 . . . . 0.0 108.259 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.687 ' OE2' HG11 ' A' ' 43' ' ' VAL . 0.2 OUTLIER -98.59 132.04 44.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.335 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.516 ' OH ' ' CD1' ' A' ' 36' ' ' PHE . 12.4 m-85 -107.14 -177.74 3.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 111.047 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.488 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -99.85 -12.95 19.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.338 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -135.83 130.58 34.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.454 ' NE2' HD13 ' A' ' 15' ' ' LEU . 8.1 tt0 -60.53 -40.7 92.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.273 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.456 ' HA ' HD23 ' A' ' 71' ' ' LEU . 8.0 tt0 -59.83 -38.09 81.05 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.468 HG22 ' CE2' ' A' ' 64' ' ' TYR . 93.2 m -66.86 -43.45 83.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 110.427 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.78 -39.37 90.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.526 ' C ' HD12 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -68.22 -48.07 66.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.445 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 3.8 t -59.68 -37.28 78.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.977 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.742 ' HA ' HG11 ' A' ' 39' ' ' VAL . . . -66.14 -38.35 87.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.637 ' HG3' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -62.85 -47.14 84.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 111.02 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 23.8 ttt-85 -77.66 -25.72 49.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 72' ' ' SER . 46.8 m-20 -77.22 -31.76 55.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.598 HD11 HG21 ' A' ' 39' ' ' VAL . 2.7 mt -106.45 -92.19 0.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 74' ' ' MET . 1.6 t-20 37.72 83.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.18 38.52 12.88 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.474 1.109 . . . . 0.0 111.039 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.89 121.04 27.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 0.753 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.56 136.13 57.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 110.256 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.786 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 14.8 t80 -176.79 -43.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 110.985 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.465 ' HB3' ' CD ' ' A' ' 24' ' ' PRO . 20.5 m -88.64 19.99 3.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.985 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.59 5.89 89.18 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.502 1.126 . . . . 0.0 111.015 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.673 ' O ' ' HB2' ' A' ' 86' ' ' ALA . 3.0 mtt180 -139.53 -69.22 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 0.735 . . . . 0.0 110.306 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.673 ' HB2' ' O ' ' A' ' 85' ' ' ARG . . . 164.66 143.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.348 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.712 ' O ' HG23 ' A' ' 89' ' ' VAL . 8.5 mt -93.79 93.59 8.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.96 101.46 0.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.572 1.17 . . . . 0.0 110.356 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 87' ' ' LEU . 4.4 t -106.31 126.13 61.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.596 ' OD2' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -138.4 155.38 48.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.451 ' O ' ' ND2' ' A' ' 97' ' ' ASN . 0.1 OUTLIER -63.81 128.91 37.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -61.23 -14.91 29.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -89.7 20.98 3.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.5 145.14 33.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.004 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 96' ' ' LYS . 10.2 pt-20 -59.85 -36.63 77.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.344 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.4 ' N ' ' HG3' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -79.64 -33.78 41.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.097 . . . . 0.0 109.28 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.672 ' O ' HD12 ' A' ' 101' ' ' LEU . 51.7 m-20 -72.37 -19.45 61.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.254 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -63.72 -45.89 87.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -61.43 -37.01 81.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.431 ' OE1' ' CE1' ' A' ' 59' ' ' TYR . 11.6 mm-40 -71.72 -42.15 67.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.672 HD12 ' O ' ' A' ' 97' ' ' ASN . 0.4 OUTLIER -62.28 -32.83 73.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.35 -29.61 24.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.63 -29.63 23.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.017 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 1.021 HD21 HG13 ' A' ' 48' ' ' VAL . 3.9 mm? -79.28 0.72 27.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -54.32 -172.73 0.07 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.466 1.104 . . . . 0.0 110.992 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.5 m -70.52 152.38 44.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 0.788 . . . . 0.0 110.393 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 132.13 135.67 3.72 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -173.59 81.11 0.39 Allowed Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.55 0.794 . . . . 0.0 109.322 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 152.95 41.42 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.507 1.793 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.2 p -137.51 148.31 25.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 5.4 pt . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 0.0 109.272 179.993 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.468 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 28.9 t70 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.468 ' HD3' ' N ' ' A' ' 8' ' ' ASP . 18.2 Cg_endo -75.05 -89.47 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.522 1.801 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -175.84 92.04 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 49.1 t -72.59 -30.4 33.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 0.0 109.316 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.449 ' CG ' ' NE2' ' A' ' 67' ' ' GLN . 0.2 OUTLIER -58.36 -34.15 70.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.525 ' C ' ' CD ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -61.82 -35.22 77.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.316 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.465 ' N ' ' HG3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -62.85 -33.59 75.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.46 ' CB ' ' CD ' ' A' ' 67' ' ' GLN . 0.4 OUTLIER -69.85 -14.47 62.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.481 ' O ' ' HB1' ' A' ' 70' ' ' ALA . 26.1 mtp180 -95.41 -67.25 0.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.606 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 60.8 m -37.0 118.54 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.056 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.492 HG12 ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -111.72 125.68 69.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.414 ' HB3' ' ND2' ' A' ' 97' ' ' ASN . 3.0 t80 -78.06 129.81 35.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.933 HG22 HD11 ' A' ' 23' ' ' ILE . 0.6 OUTLIER -116.2 133.41 62.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -157.86 176.33 34.95 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.547 1.155 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.44 ' O ' ' ND2' ' A' ' 22' ' ' ASN . 4.8 t30 72.82 22.67 3.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 0.776 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.961 HD13 HD21 ' A' ' 32' ' ' LEU . 2.0 mt -101.88 140.96 21.64 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.59 ' HD2' HG22 ' A' ' 23' ' ' ILE . 18.4 Cg_endo -74.98 -162.32 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.462 1.769 . . . . 0.0 111.018 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -96.01 -5.73 40.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.16 -9.63 44.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.892 ' HB3' HG22 ' A' ' 23' ' ' ILE . . . -110.3 96.1 6.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.507 ' O ' HD13 ' A' ' 32' ' ' LEU . 15.2 p -90.38 173.75 7.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 110.401 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.506 ' HG3' HD23 ' A' ' 47' ' ' LEU . 8.0 mt-10 -58.11 -31.3 67.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.133 . . . . 0.0 110.32 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.68 -33.86 74.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.276 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.451 ' HB3' ' CZ ' ' A' ' 82' ' ' PHE . 5.9 mt-30 -83.89 -44.79 13.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.977 ' HA ' HD12 ' A' ' 35' ' ' ILE . 5.8 mp -58.04 -49.15 77.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.962 ' HG3' HG21 ' A' ' 42' ' ' VAL . 1.6 ttpt -56.4 -38.27 71.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.94 -37.85 87.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.977 HD12 ' HA ' ' A' ' 32' ' ' LEU . 7.1 mt -68.02 -47.69 77.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -68.28 -27.88 66.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.536 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 0.0 OUTLIER -61.76 -33.03 73.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.06 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -67.93 -12.16 60.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.925 HG11 ' HA ' ' A' ' 73' ' ' ALA . 37.1 t -103.82 -10.98 9.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.536 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 149.66 176.55 22.93 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.448 1.093 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 118.3 5.21 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.783 . . . . 0.0 110.948 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.962 HG21 ' HG3' ' A' ' 33' ' ' LYS . 33.5 m -85.67 122.35 38.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.612 HG23 ' HB2' ' A' ' 65' ' ' GLN . 3.0 t -63.26 -68.83 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.415 ' N ' HG12 ' A' ' 43' ' ' VAL . 1.5 m -135.77 166.24 23.75 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.443 1.089 . . . . 0.0 110.022 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.451 ' CZ ' ' HB2' ' A' ' 62' ' ' CYS . 0.7 OUTLIER -161.95 112.95 1.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 110.952 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.44 ' CA ' ' OE2' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -132.48 128.18 36.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.287 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.877 HD11 ' CD2' ' A' ' 49' ' ' TYR . 0.5 OUTLIER -108.5 177.49 4.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.267 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.912 HG21 ' CE2' ' A' ' 59' ' ' TYR . 3.4 m -88.44 121.62 38.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.877 ' CD2' HD11 ' A' ' 47' ' ' LEU . 1.0 OUTLIER -120.58 119.63 33.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.953 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 54' ' ' GLY . 1.5 m-20 -75.77 109.75 9.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.12 -27.94 62.95 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.122 . . . . 0.0 110.318 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.75 -32.03 70.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.277 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.461 HG22 ' CD ' ' A' ' 55' ' ' LYS . 3.2 m -109.27 -5.4 15.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.087 . . . . 0.0 110.415 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 56.17 14.5 8.53 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.461 ' CD ' HG22 ' A' ' 53' ' ' THR . 3.2 mttp -118.81 145.52 37.96 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.495 0.762 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.578 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 18.3 Cg_endo -75.01 137.87 22.26 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.46 1.768 . . . . 0.0 110.976 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.783 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -52.04 -56.12 16.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.252 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 142.35 -13.84 2.52 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.127 . . . . 0.0 110.969 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.912 ' CE2' HG21 ' A' ' 48' ' ' VAL . 1.6 p90 -125.56 159.37 32.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.761 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.471 ' CA ' ' HA ' ' A' ' 47' ' ' LEU . . . -163.45 -170.25 28.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.573 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 92.5 m-85 -132.34 137.59 47.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 110.994 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.451 ' HB2' ' CZ ' ' A' ' 45' ' ' PHE . 34.9 t -121.2 122.11 39.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 108.319 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -100.52 123.53 44.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.503 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 9.3 m-85 -91.14 -175.29 4.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.612 ' HB2' HG23 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -106.74 -15.84 14.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.44 134.27 43.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.46 ' CD ' ' CB ' ' A' ' 15' ' ' LEU . 3.0 mt-30 -58.89 -46.57 87.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.28 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -59.91 -37.03 78.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.342 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.459 HG22 ' CE1' ' A' ' 64' ' ' TYR . 85.2 m -66.5 -42.24 87.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.352 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.503 ' HB2' ' HB2' ' A' ' 64' ' ' TYR . . . -67.91 -40.17 83.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.505 HD23 ' HE3' ' A' ' 74' ' ' MET . 3.7 mt -69.27 -40.55 77.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.427 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 93.6 p -64.23 -38.59 91.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.011 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.925 ' HA ' HG11 ' A' ' 39' ' ' VAL . . . -67.05 -38.5 85.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.616 ' HG2' HG12 ' A' ' 89' ' ' VAL . 0.5 OUTLIER -62.3 -48.03 81.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.59 -26.24 50.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 72' ' ' SER . 20.4 m-20 -78.22 -20.67 51.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.258 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.63 ' O ' ' C ' ' A' ' 78' ' ' ASN . 27.2 mt -113.54 -91.95 0.49 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.63 ' C ' ' O ' ' A' ' 77' ' ' LEU . 22.1 p-10 19.71 87.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 97.11 22.57 17.01 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.516 1.135 . . . . 0.0 111.041 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -84.3 119.78 25.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 0.724 . . . . 0.0 110.326 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -64.46 140.49 58.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.34 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.727 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 30.4 t80 -176.42 144.66 0.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.586 ' OG ' ' HB2' ' A' ' 27' ' ' ALA . 4.0 m 57.79 17.08 3.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.987 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 83.98 16.18 68.16 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 -146.99 152.96 39.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 0.771 . . . . 0.0 110.33 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.45 143.52 46.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 109.339 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.5 HD21 HG23 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -100.49 96.95 7.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -73.5 117.2 14.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.616 HG12 ' HG2' ' A' ' 74' ' ' MET . 62.1 t -125.53 122.24 62.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.425 1.078 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.71 154.07 46.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.635 HD22 ' HB3' ' A' ' 93' ' ' ALA . 1.0 OUTLIER -47.61 121.28 3.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.33 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.606 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -63.81 -12.12 33.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.635 ' HB3' HD22 ' A' ' 91' ' ' ASN . . . -90.93 24.06 2.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.428 ' HB2' ' ND2' ' A' ' 97' ' ' ASN . 2.9 m -79.78 153.77 28.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 109.993 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -67.59 -33.35 74.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.327 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.19 -33.81 32.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.342 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.638 ' O ' HD12 ' A' ' 101' ' ' LEU . 88.4 m-20 -72.31 -19.85 61.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -64.25 -37.35 87.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.425 ' N ' ' HG3' ' A' ' 98' ' ' LYS . 8.8 mt-10 -63.36 -35.25 79.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.253 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.595 ' OE2' ' CE2' ' A' ' 59' ' ' TYR . 4.2 mm-40 -71.71 -43.25 66.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.638 HD12 ' O ' ' A' ' 97' ' ' ASN . 0.4 OUTLIER -62.9 -33.17 74.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -50.6 -28.91 9.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.55 -33.07 21.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 110.002 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.768 HD13 HG12 ' A' ' 48' ' ' VAL . 2.1 tp -89.61 7.46 36.35 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.157 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 101' ' ' LEU . . . -65.44 -62.52 4.78 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 5.9 t -110.63 138.18 47.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 0.745 . . . . 0.0 110.378 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -140.58 -177.56 16.2 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.472 1.107 . . . . 0.0 110.995 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -157.81 156.49 28.49 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 109.321 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 156.18 43.17 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.508 1.794 . . . . 0.0 111.026 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 10.7 p -137.52 143.57 33.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 10.8 mt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.983 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.3 t70 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -56.21 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.521 1.8 . . . . 0.0 110.976 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.624 ' HB1' ' HB2' ' A' ' 13' ' ' ARG . . . -176.17 86.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.5 t -69.98 -32.91 53.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.24 -34.75 76.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.258 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.624 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -57.31 -36.76 71.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.346 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.28 -40.43 94.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.962 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.573 HD23 HE21 ' A' ' 67' ' ' GLN . 6.7 mp -69.58 -13.31 62.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.483 ' O ' ' CG ' ' A' ' 63' ' ' GLU . 13.5 mtm-85 -106.09 40.07 1.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.547 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 1.2 p -154.27 130.91 10.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.0 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.765 HG11 ' HB3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -125.57 125.62 68.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.418 ' HB3' ' ND2' ' A' ' 97' ' ' ASN . 2.4 t80 -78.43 131.36 36.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 111.038 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.816 HG12 HD11 ' A' ' 23' ' ' ILE . 2.1 t -119.14 137.85 51.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -146.02 -177.66 20.87 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.48 1.113 . . . . 0.0 111.02 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.518 HD22 ' HB3' ' A' ' 86' ' ' ALA . 8.5 t30 61.6 24.43 14.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.816 HD11 HG12 ' A' ' 20' ' ' VAL . 3.4 mt -95.45 114.45 63.92 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 178.73 6.88 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.515 1.797 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -74.9 -1.84 24.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 111.026 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.59 -9.97 42.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.312 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.44 ' HB1' HD11 ' A' ' 32' ' ' LEU . . . -124.96 100.26 6.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.937 ' O ' HD22 ' A' ' 32' ' ' LEU . 5.4 p -91.85 174.33 7.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.1 . . . . 0.0 110.401 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.555 ' HG3' HD11 ' A' ' 47' ' ' LEU . 1.7 mt-10 -57.79 -30.36 65.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.04 -33.64 73.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.333 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -89.4 -44.86 9.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.937 HD22 ' O ' ' A' ' 28' ' ' THR . 0.2 OUTLIER -57.13 -49.0 77.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.906 ' HG3' HG11 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -61.48 -37.75 84.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -65.36 -38.95 91.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.911 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 7.6 mt -68.1 -46.74 80.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 1.024 ' CE1' HD22 ' A' ' 77' ' ' LEU . 14.7 m-85 -67.76 -29.13 68.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.457 ' HA ' HG23 ' A' ' 42' ' ' VAL . 53.9 p -63.21 -33.16 74.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.005 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.41 -12.67 61.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.315 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.967 HG11 ' HA ' ' A' ' 73' ' ' ALA . 2.2 t -103.92 7.08 10.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.252 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.457 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 137.8 -178.22 19.31 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 119.67 5.73 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.484 1.781 . . . . 0.0 111.016 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.906 HG11 ' HG3' ' A' ' 33' ' ' LYS . 71.3 t -88.18 122.38 39.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.596 HG12 ' N ' ' A' ' 44' ' ' SER . 2.8 t -71.74 -77.55 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.596 ' N ' HG12 ' A' ' 43' ' ' VAL . 0.4 OUTLIER -132.33 176.66 8.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.962 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.581 ' CE1' HD21 ' A' ' 47' ' ' LEU . 0.8 OUTLIER -171.13 120.92 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.441 ' C ' HD23 ' A' ' 47' ' ' LEU . 18.4 mmt180 -138.1 135.44 35.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.28 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.581 HD21 ' CE1' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -113.29 176.89 4.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.262 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.048 HG21 ' CE2' ' A' ' 59' ' ' TYR . 3.5 m -90.7 121.44 41.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.528 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 1.2 m-85 -123.81 119.82 30.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 54' ' ' GLY . 13.3 m-20 -72.08 109.21 5.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.464 ' CZ ' ' HB2' ' A' ' 51' ' ' ARG . 28.7 mtm105 -73.05 -29.68 63.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.257 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -70.51 -30.84 67.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.328 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.4 p -109.56 -3.15 17.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.418 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 50.72 19.69 3.48 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -118.1 145.13 36.22 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.566 0.804 . . . . 0.0 109.307 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.528 ' HB3' ' CZ ' ' A' ' 49' ' ' TYR . 18.3 Cg_endo -75.0 137.63 21.98 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.512 1.796 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.875 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -57.91 -58.25 9.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 138.9 -15.73 3.29 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.506 1.129 . . . . 0.0 111.028 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 1.048 ' CE2' HG21 ' A' ' 48' ' ' VAL . 33.0 p90 -126.01 156.73 39.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 0.736 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.424 ' HA3' HD22 ' A' ' 47' ' ' LEU . . . -164.2 -174.16 33.67 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.699 ' CE1' HD23 ' A' ' 104' ' ' LEU . 30.2 m-85 -132.35 135.6 46.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 0.768 . . . . 0.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.539 ' HB2' ' CE1' ' A' ' 45' ' ' PHE . 12.2 t -106.94 152.7 23.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 108.304 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.483 ' CG ' ' O ' ' A' ' 16' ' ' ARG . 0.8 OUTLIER -119.73 123.35 43.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.262 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.533 ' HB2' ' HB2' ' A' ' 70' ' ' ALA . 4.0 m-85 -102.26 -173.78 2.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.477 ' HB2' HG23 ' A' ' 43' ' ' VAL . 9.0 tm0? -113.07 -23.39 10.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.328 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.433 ' HB2' ' CB ' ' A' ' 69' ' ' THR . 0.2 OUTLIER -124.54 134.32 53.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.573 HE21 HD23 ' A' ' 15' ' ' LEU . 2.7 tp60 -61.35 -46.27 90.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -62.54 -37.94 88.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.433 ' CB ' ' HB2' ' A' ' 66' ' ' ASP . 92.2 m -66.55 -42.2 87.51 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.115 . . . . 0.0 110.39 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.533 ' HB2' ' HB2' ' A' ' 64' ' ' TYR . . . -69.22 -39.32 78.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.639 HD23 ' CE ' ' A' ' 74' ' ' MET . 0.5 OUTLIER -69.89 -36.97 75.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.456 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 6.9 m -71.61 -41.76 68.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.014 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.967 ' HA ' HG11 ' A' ' 39' ' ' VAL . . . -68.33 -46.61 69.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.765 ' HB3' HG11 ' A' ' 18' ' ' VAL . 5.3 ptt? -67.07 -41.08 87.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.958 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.492 ' N ' ' CG ' ' A' ' 74' ' ' MET . 23.1 ttt85 -73.73 -31.2 63.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.259 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.456 ' CB ' ' O ' ' A' ' 72' ' ' SER . 41.5 m-20 -78.27 -36.74 46.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 1.024 HD22 ' CE1' ' A' ' 36' ' ' PHE . 8.5 mp -86.47 -25.91 24.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.525 ' CB ' ' O ' ' A' ' 74' ' ' MET . 1.7 t30 -57.27 88.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . 109.02 4.17 31.38 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.526 1.141 . . . . 0.0 110.957 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.0 125.41 30.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 0.0 110.249 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.28 140.27 40.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.911 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 39.1 t80 -165.03 151.38 10.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.463 ' OG ' ' CE1' ' A' ' 82' ' ' PHE . 15.4 m 53.8 24.15 4.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.015 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.38 6.05 89.47 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.4 -162.63 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.77 . . . . 0.0 110.327 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.518 ' HB3' HD22 ' A' ' 22' ' ' ASN . . . -116.93 154.6 30.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.59 HD22 HD23 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -110.13 98.2 7.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.251 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.34 89.67 7.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.282 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.502 HG21 ' CB ' ' A' ' 77' ' ' LEU . 2.0 t -106.39 124.25 61.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -140.3 140.55 35.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.801 HD22 ' HB3' ' A' ' 93' ' ' ALA . 1.8 t30 -38.71 126.96 1.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -68.99 -8.52 45.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.244 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.801 ' HB3' HD22 ' A' ' 91' ' ' ASN . . . -91.01 23.34 3.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.2 t -79.77 148.02 31.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.009 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -65.4 -32.61 74.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.142 . . . . 0.0 110.281 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 6.4 ptmt -81.12 -33.56 33.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.641 ' O ' HD12 ' A' ' 101' ' ' LEU . 83.1 m-20 -72.06 -19.59 61.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.457 ' HE2' ' CA ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -64.3 -40.45 95.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.361 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.457 ' CA ' ' HE2' ' A' ' 98' ' ' LYS . 0.0 OUTLIER -61.55 -43.59 98.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.305 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -71.66 -35.94 70.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.258 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.641 HD12 ' O ' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -61.9 -36.34 81.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.346 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.94 -29.96 0.92 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.81 -37.93 18.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.112 . . . . 0.0 109.972 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 1.015 HD21 HG13 ' A' ' 48' ' ' VAL . 1.6 mm? -79.27 0.59 28.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.475 ' O ' ' C ' ' A' ' 106' ' ' THR . . . -104.77 153.54 17.42 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.64 HG23 ' O ' ' A' ' 106' ' ' THR . 10.0 t 32.91 89.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 0.753 . . . . 0.0 110.393 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 156.15 122.83 0.77 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.51 1.132 . . . . 0.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -170.23 82.08 0.59 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.474 0.75 . . . . 0.0 109.284 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 162.28 37.36 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.513 1.796 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.4 p -137.15 148.36 26.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.584 ' C ' HD13 ' A' ' 111' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.462 ' CB ' ' CD ' ' A' ' 9' ' ' PRO . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.667 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 18.3 Cg_endo -74.98 -50.03 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.532 1.806 . . . . 0.0 111.025 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.667 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 163.71 83.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 33.8 t -83.41 -32.91 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.564 ' HA ' HD12 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -64.74 -34.7 78.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.405 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 24.5 ttm180 -57.12 -36.74 71.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.911 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 0.5 OUTLIER -61.2 -36.85 81.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.012 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.892 HD22 ' CD ' ' A' ' 67' ' ' GLN . 1.0 OUTLIER -68.33 -17.91 64.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.485 ' O ' ' O ' ' A' ' 17' ' ' SER . 1.0 OUTLIER -99.35 -159.74 0.76 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.268 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.529 ' O ' ' CB ' ' A' ' 92' ' ' ALA . 1.1 p 56.1 119.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.968 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.521 HG12 ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -123.8 124.94 70.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.585 ' CD1' ' OD2' ' A' ' 90' ' ' ASP . 5.0 t80 -73.65 129.41 37.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.507 HG21 ' CZ ' ' A' ' 45' ' ' PHE . 2.2 t -119.94 132.34 69.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -132.23 -173.41 13.31 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.533 1.146 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 86' ' ' ALA . 19.3 t-20 62.73 22.08 13.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 0.779 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.659 HG12 HD13 ' A' ' 87' ' ' LEU . 2.3 mt -96.92 114.36 64.48 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.403 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 18.4 Cg_endo -75.03 178.4 7.32 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.457 1.767 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.562 ' CE2' ' HD2' ' A' ' 56' ' ' PRO . 3.2 m-85 -72.85 -9.66 58.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.7 -9.67 42.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.331 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.527 ' HB3' HG22 ' A' ' 23' ' ' ILE . . . -108.2 96.31 6.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.969 ' O ' HD22 ' A' ' 32' ' ' LEU . 7.3 p -90.6 174.79 7.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.432 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.689 ' HG3' HD11 ' A' ' 47' ' ' LEU . 45.5 mt-10 -57.71 -29.46 64.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.264 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.11 -33.47 72.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -91.06 -45.13 8.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.969 HD22 ' O ' ' A' ' 28' ' ' THR . 0.2 OUTLIER -57.27 -49.16 76.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.511 ' HG3' HG11 ' A' ' 42' ' ' VAL . 6.2 ttpt -61.58 -37.81 85.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.93 -38.94 89.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.23 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.935 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 7.9 mt -68.36 -46.87 79.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.464 ' HZ ' HG22 ' A' ' 20' ' ' VAL . 2.0 m-85 -67.98 -29.36 68.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.458 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 59.9 p -63.6 -34.57 78.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 109.988 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.412 ' O ' ' CG ' ' A' ' 38' ' ' GLU . 9.1 tp10 -71.14 -12.62 61.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.623 HG21 HD11 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -104.24 7.1 10.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.458 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 140.01 176.45 15.03 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.469 1.106 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.725 ' HD2' HG21 ' A' ' 69' ' ' THR . 18.1 Cg_endo -75.02 109.74 2.99 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.476 1.777 . . . . 0.0 111.008 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.522 ' CG2' ' SG ' ' A' ' 62' ' ' CYS . 14.5 p -87.94 137.91 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.671 HG12 ' N ' ' A' ' 44' ' ' SER . 2.7 t -89.97 -80.98 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.671 ' N ' HG12 ' A' ' 43' ' ' VAL . 0.4 OUTLIER -124.74 163.71 21.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.988 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.601 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.6 OUTLIER -153.03 115.7 4.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -130.38 130.99 45.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.285 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.739 HD23 ' HA3' ' A' ' 60' ' ' GLY . 0.2 OUTLIER -110.75 177.37 4.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.924 HG12 HD13 ' A' ' 104' ' ' LEU . 3.9 m -89.36 121.65 39.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.53 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 0.8 OUTLIER -126.74 118.91 25.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 54' ' ' GLY . 14.0 m-20 -71.01 109.32 5.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.7 mtm180 -73.05 -30.52 63.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -71.6 -32.54 68.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 0.0 110.294 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.5 m -106.03 -3.87 21.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.393 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 50.24 20.53 3.52 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.457 1.098 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.6 mmtt -117.89 145.33 36.43 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.562 ' HD2' ' CE2' ' A' ' 25' ' ' TYR . 18.4 Cg_endo -74.96 140.88 26.09 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.465 1.771 . . . . 0.0 111.017 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.904 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -62.68 -56.15 20.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 138.57 -20.04 3.14 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.519 1.137 . . . . 0.0 111.033 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.911 ' CE2' HG21 ' A' ' 48' ' ' VAL . 36.8 p90 -124.27 156.88 36.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 0.798 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.739 ' HA3' HD23 ' A' ' 47' ' ' LEU . . . -157.74 -172.65 25.18 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.408 ' CE2' HD11 ' A' ' 101' ' ' LEU . 92.5 m-85 -132.57 137.71 47.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 0.775 . . . . 0.0 111.002 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.601 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 4.9 t -114.07 120.32 40.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 108.297 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -96.42 123.41 40.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.273 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -101.2 179.48 4.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.611 ' HG3' HG21 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -108.09 -9.38 15.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.279 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.445 ' HB2' ' CB ' ' A' ' 69' ' ' THR . 0.0 OUTLIER -125.95 128.87 48.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.892 ' CD ' HD22 ' A' ' 15' ' ' LEU . 15.4 tt0 -64.63 -46.84 80.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -61.17 -37.37 82.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.725 HG21 ' HD2' ' A' ' 41' ' ' PRO . 84.8 m -66.42 -39.15 88.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.382 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.31 -40.33 89.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.541 ' C ' HD12 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -70.37 -49.0 53.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.455 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 3.8 m -60.1 -38.44 82.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.995 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.48 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . . . -66.64 -37.95 85.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.634 ' O ' ' HB3' ' A' ' 78' ' ' ASN . 0.2 OUTLIER -62.11 -47.95 82.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.968 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -77.63 -26.85 50.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.327 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.487 ' CB ' ' CG1' ' A' ' 39' ' ' VAL . 10.7 m-20 -68.48 -35.26 77.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.877 ' HB2' HG21 ' A' ' 89' ' ' VAL . 4.0 mt -103.87 -75.66 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.634 ' HB3' ' O ' ' A' ' 74' ' ' MET . 1.0 OUTLIER 36.8 33.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.163 . . . . 0.0 109.293 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.478 ' O ' ' HB1' ' A' ' 86' ' ' ALA . . . 117.0 49.82 0.41 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.777 ' CB ' HD23 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -81.7 125.6 30.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.484 0.755 . . . . 0.0 110.291 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.92 134.27 56.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.935 ' CZ ' HD11 ' A' ' 35' ' ' ILE . 15.8 t80 -175.84 -43.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.974 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 88.6 p -88.33 18.69 4.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.977 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 90.0 5.88 70.15 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.545 1.153 . . . . 0.0 111.032 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -147.31 -85.25 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 0.747 . . . . 0.0 110.3 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.478 ' HB1' ' O ' ' A' ' 79' ' ' GLY . . . -174.05 140.17 0.69 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.659 HD13 HG12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -94.46 95.39 8.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.5 130.75 48.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.308 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.877 HG21 ' HB2' ' A' ' 77' ' ' LEU . 6.0 t -125.85 133.56 68.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.585 ' OD2' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -139.32 155.88 47.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.456 ' N ' ' SD ' ' A' ' 74' ' ' MET . 0.1 OUTLIER -78.48 125.02 28.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -59.06 -14.78 10.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.911 ' HB2' ' O ' ' A' ' 14' ' ' SER . . . -86.02 18.46 3.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.352 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.42 149.6 31.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 110.004 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -68.13 -36.54 79.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.281 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.2 pttt -80.57 -29.2 37.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.774 ' O ' HD12 ' A' ' 101' ' ' LEU . 3.2 m120 -72.24 -19.84 61.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.31 -29.87 70.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.73 -42.24 74.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.438 ' OE2' ' CE2' ' A' ' 59' ' ' TYR . 6.6 mm-40 -71.52 -44.47 64.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.774 HD12 ' O ' ' A' ' 97' ' ' ASN . 0.4 OUTLIER -63.3 -32.97 74.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.307 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -54.52 -28.66 46.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.75 -36.22 20.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.008 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.924 HD13 HG12 ' A' ' 48' ' ' VAL . 2.9 tp -79.36 -9.49 59.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 101' ' ' LEU . . . 114.81 -94.37 0.67 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.429 1.08 . . . . 0.0 111.031 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.413 ' HB ' ' O ' ' A' ' 105' ' ' GLY . 1.8 t -178.61 -42.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 0.777 . . . . 0.0 110.406 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.4 ' O ' ' NH1' ' A' ' 13' ' ' ARG . . . 161.81 119.9 0.52 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.51 1.132 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.535 ' HB1' ' HD2' ' A' ' 109' ' ' PRO . . . -152.36 165.62 17.11 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.535 ' HD2' ' HB1' ' A' ' 108' ' ' ALA . 18.3 Cg_endo -75.03 175.1 11.69 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.494 1.787 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 14.5 p -131.49 144.53 37.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 81.7 mt . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 179.988 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.572 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 1.3 t0 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 8' ' ' ASP . 18.2 Cg_endo -75.02 152.82 41.15 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.547 1.814 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -117.73 -5.87 11.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 37.0 t -86.24 -32.88 6.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.28 -34.99 72.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.37 -39.62 76.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.54 -31.7 73.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.995 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.547 ' CB ' ' NE2' ' A' ' 67' ' ' GLN . 0.2 OUTLIER -69.28 -16.87 63.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.556 ' O ' ' HB1' ' A' ' 70' ' ' ALA . 35.7 mtm-85 -87.49 -63.91 1.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.559 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 36.6 m -37.4 117.3 0.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 0.0 109.998 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.447 ' CG1' ' HG3' ' A' ' 74' ' ' MET . 0.4 OUTLIER -111.49 125.73 68.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.53 ' CD1' ' OD2' ' A' ' 90' ' ' ASP . 4.1 t80 -80.05 129.45 34.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.927 HG12 HD11 ' A' ' 23' ' ' ILE . 12.9 t -115.7 132.99 63.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.115 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.78 -176.74 14.52 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 110.978 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 61.18 24.4 14.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 0.754 . . . . 0.0 109.332 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.927 HD11 HG12 ' A' ' 20' ' ' VAL . 3.4 mt -95.22 114.44 63.77 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.46 ' CD ' ' HB3' ' A' ' 83' ' ' SER . 18.4 Cg_endo -75.02 -177.62 3.6 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.533 1.807 . . . . 0.0 110.987 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.576 ' CE2' ' HD2' ' A' ' 56' ' ' PRO . 4.8 m-85 -77.57 -6.91 55.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 111.062 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -91.61 -9.91 42.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.144 . . . . 0.0 110.313 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.44 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -113.12 95.62 5.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 1.0 ' O ' HD22 ' A' ' 32' ' ' LEU . 6.8 p -90.76 174.25 7.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 110.388 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.757 ' HG3' HD11 ' A' ' 47' ' ' LEU . 26.1 mt-10 -58.0 -30.05 65.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.65 -33.57 73.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.267 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -89.71 -45.19 9.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.345 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.0 HD22 ' O ' ' A' ' 28' ' ' THR . 0.2 OUTLIER -57.18 -49.11 76.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.25 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.976 ' HG3' HG11 ' A' ' 42' ' ' VAL . 0.5 OUTLIER -61.03 -37.97 84.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -65.98 -37.7 86.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.67 HD11 ' CE2' ' A' ' 82' ' ' PHE . 24.0 mt -68.17 -47.39 78.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.466 ' HB3' ' CG2' ' A' ' 42' ' ' VAL . 0.2 OUTLIER -68.43 -29.1 67.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.428 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 57.8 p -62.33 -41.98 99.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.994 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -66.01 -12.09 52.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.951 HG21 HD11 ' A' ' 77' ' ' LEU . 6.1 t -103.93 7.01 10.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.428 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 137.49 -175.84 20.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.544 1.152 . . . . 0.0 110.965 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 132.24 15.18 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.485 1.781 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.976 HG11 ' HG3' ' A' ' 33' ' ' LYS . 31.1 t -106.09 139.43 27.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.616 HG12 ' N ' ' A' ' 44' ' ' SER . 3.1 t -97.19 -79.88 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.616 ' N ' HG12 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -125.39 171.29 10.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.996 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.55 ' CE2' ' HB2' ' A' ' 62' ' ' CYS . 0.7 OUTLIER -167.53 114.6 0.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.964 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -135.08 132.27 37.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.757 HD11 ' HG3' ' A' ' 29' ' ' GLU . 0.2 OUTLIER -107.15 177.69 4.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 109.3 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.043 HG12 HD13 ' A' ' 104' ' ' LEU . 3.7 m -88.82 121.58 39.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.524 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 0.8 OUTLIER -128.48 118.83 23.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.147 . . . . 0.0 110.981 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 54' ' ' GLY . 13.7 m-20 -70.12 109.31 4.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 64.5 mtt180 -72.97 -29.91 63.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -70.88 -32.32 69.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.467 ' OG1' ' CB ' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -111.88 5.77 19.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.402 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 39.49 27.91 0.1 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 53' ' ' THR . 3.7 ptmt -117.83 144.65 34.91 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.504 0.767 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.576 ' HD2' ' CE2' ' A' ' 25' ' ' TYR . 18.3 Cg_endo -75.01 142.22 27.56 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.511 1.795 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.928 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -68.04 -55.35 12.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 136.97 -20.48 3.41 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.488 1.118 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.913 ' CE2' HG21 ' A' ' 48' ' ' VAL . 39.4 p90 -125.51 156.88 38.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 0.776 . . . . 0.0 110.986 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.739 ' HA3' HD23 ' A' ' 47' ' ' LEU . . . -157.27 -173.34 25.57 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.483 1.115 . . . . 0.0 110.958 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.571 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 61.1 m-85 -132.2 137.69 47.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.55 ' HB2' ' CE2' ' A' ' 45' ' ' PHE . 25.5 t -114.96 125.57 53.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 108.312 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.409 ' HG3' ' CB ' ' A' ' 44' ' ' SER . 1.6 pt-20 -98.87 123.31 43.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.824 ' CE1' HG22 ' A' ' 69' ' ' THR . 2.3 m-85 -95.04 -168.65 1.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.946 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.486 ' HB2' HG23 ' A' ' 43' ' ' VAL . 2.9 tt0 -115.07 -14.91 11.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -135.13 132.68 38.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.547 ' NE2' ' CB ' ' A' ' 15' ' ' LEU . 0.4 OUTLIER -59.69 -43.2 94.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.279 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.82 -38.04 80.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.824 HG22 ' CE1' ' A' ' 64' ' ' TYR . 33.9 m -67.99 -39.38 83.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.416 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.556 ' HB1' ' O ' ' A' ' 16' ' ' ARG . . . -68.11 -39.38 82.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.1 mt -70.15 -46.23 65.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.449 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 58.7 m -63.86 -38.0 89.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.994 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.772 ' HA ' HG11 ' A' ' 39' ' ' VAL . . . -66.87 -38.39 86.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.607 ' O ' ' HB3' ' A' ' 78' ' ' ASN . 1.7 mtp -62.65 -47.85 81.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.969 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.34 -26.83 52.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.281 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 72' ' ' SER . 18.5 m-20 -68.69 -35.71 77.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.951 HD11 HG21 ' A' ' 39' ' ' VAL . 9.2 mp -104.41 -72.33 0.71 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.607 ' HB3' ' O ' ' A' ' 74' ' ' MET . 1.0 OUTLIER 36.79 33.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.522 ' O ' ' HB1' ' A' ' 86' ' ' ALA . . . 116.97 53.86 0.32 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.83 121.31 26.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 0.748 . . . . 0.0 110.322 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -54.89 137.61 45.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.311 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.67 ' CE2' HD11 ' A' ' 35' ' ' ILE . 7.8 t80 174.39 -41.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.562 ' OG ' HD13 ' A' ' 87' ' ' LEU . 0.1 OUTLIER -88.87 19.17 4.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.002 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 85.03 5.89 85.5 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.484 1.115 . . . . 0.0 110.956 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.618 ' O ' ' HB2' ' A' ' 86' ' ' ALA . 0.5 OUTLIER -146.14 -74.25 0.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 0.769 . . . . 0.0 110.301 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.618 ' HB2' ' O ' ' A' ' 85' ' ' ARG . . . 167.7 134.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.562 HD13 ' OG ' ' A' ' 83' ' ' SER . 0.2 OUTLIER -82.38 93.54 7.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' A' ' 20' ' ' VAL . 12.3 mmt85 -60.54 128.23 35.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.721 HG21 ' HB2' ' A' ' 77' ' ' LEU . 3.1 t -125.55 124.62 67.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.53 ' OD2' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -139.7 154.62 47.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.531 HD22 ' HB3' ' A' ' 93' ' ' ALA . 1.0 OUTLIER -61.93 123.93 19.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 109.248 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -62.33 -13.82 33.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.531 ' HB3' HD22 ' A' ' 91' ' ' ASN . . . -91.52 24.37 3.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.77 150.55 30.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.025 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -63.38 -36.88 85.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -81.35 -33.82 32.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.425 ' ND2' ' HB3' ' A' ' 19' ' ' PHE . 5.6 m-20 -72.32 -19.85 61.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -36.95 85.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.492 ' O ' ' CG ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -63.98 -37.8 88.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.312 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.461 ' OE2' ' CZ ' ' A' ' 59' ' ' TYR . 6.5 mm-40 -71.61 -42.8 67.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.571 ' HG ' ' CZ ' ' A' ' 61' ' ' PHE . 0.5 OUTLIER -62.87 -32.78 74.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.492 ' CG ' ' O ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -50.93 -29.15 11.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.56 -35.1 21.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.003 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 1.043 HD13 HG12 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -84.81 7.47 20.64 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.121 . . . . 0.0 109.262 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -68.58 -82.43 0.17 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 23.1 m -141.5 139.5 33.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 110.403 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -44.61 143.55 2.66 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.461 1.101 . . . . 0.0 110.979 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -171.69 79.38 0.49 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.474 0.749 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 146.41 32.6 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.493 1.786 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 11.5 p -127.8 151.47 34.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.658 ' H ' HD12 ' A' ' 111' ' ' ILE . 4.7 mp . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.329 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 36.2 t70 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.717 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 18.2 Cg_endo -75.03 170.97 19.25 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.503 1.791 . . . . 0.0 110.995 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.717 ' HB2' ' O ' ' A' ' 9' ' ' PRO . . . 161.61 -27.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.5 t -83.54 -32.95 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.602 ' HA ' HD12 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -59.95 -34.96 73.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 45.0 mtt180 -59.11 -37.77 77.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.337 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 71.1 m -61.34 -41.11 96.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.956 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.602 HD12 ' HA ' ' A' ' 12' ' ' ASP . 1.1 mt -70.2 -13.38 62.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.0 mtm-85 -103.61 59.91 0.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.597 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 9.3 m -176.27 138.33 0.32 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.022 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.635 HG12 ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -124.47 125.55 70.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.358 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.48 ' CZ ' ' OE1' ' A' ' 100' ' ' GLU . 28.4 t80 -76.56 129.19 36.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.445 ' HB ' HD11 ' A' ' 23' ' ' ILE . 2.1 t -117.7 133.1 65.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.51 -172.34 12.91 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.2 t30 51.26 36.42 16.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 0.786 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.927 HD13 ' CD2' ' A' ' 32' ' ' LEU . 3.4 mt -95.48 114.47 63.98 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.502 ' HD2' ' HB3' ' A' ' 27' ' ' ALA . 18.3 Cg_endo -75.03 167.06 27.84 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 110.971 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.6 m-30 -66.64 -8.59 28.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -91.72 -11.72 36.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.258 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.553 ' HB1' HD11 ' A' ' 32' ' ' LEU . . . -115.97 95.87 5.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.544 ' O ' HD13 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -90.09 173.77 8.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.428 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.448 ' OE2' ' N ' ' A' ' 47' ' ' LEU . 41.2 mt-10 -58.29 -30.86 66.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.309 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.38 -33.37 75.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.292 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -85.72 -43.68 13.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.927 ' CD2' HD13 ' A' ' 23' ' ' ILE . 11.1 mp -60.59 -49.0 79.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.16 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.407 ' HD2' ' CG1' ' A' ' 42' ' ' VAL . 2.3 ttpp -56.36 -38.15 71.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -65.69 -38.15 88.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 0.0 109.349 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.896 HD12 ' HA ' ' A' ' 32' ' ' LEU . 8.2 mt -68.16 -47.06 80.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.849 ' CE1' HD13 ' A' ' 77' ' ' LEU . 3.8 m-85 -67.94 -29.07 68.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.488 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 54.2 p -62.66 -32.34 73.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 110.013 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.55 -11.16 22.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.332 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.851 HG11 ' CA ' ' A' ' 73' ' ' ALA . 60.9 t -102.3 -7.92 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.488 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 149.45 -167.45 29.69 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.467 1.104 . . . . 0.0 111.033 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.522 ' HD2' HG21 ' A' ' 69' ' ' THR . 18.1 Cg_endo -75.06 136.41 20.25 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.457 1.767 . . . . 0.0 110.953 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.407 ' CG1' ' HD2' ' A' ' 33' ' ' LYS . 71.9 t -106.06 122.3 59.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.476 ' CG2' ' HB2' ' A' ' 65' ' ' GLN . 59.6 t -70.87 -60.63 2.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.59 164.05 32.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.973 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.585 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.4 OUTLIER -143.23 122.22 12.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -132.4 131.66 42.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.87 HD11 ' CE2' ' A' ' 49' ' ' TYR . 1.3 pp -122.55 178.38 5.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.961 HG13 HD21 ' A' ' 104' ' ' LEU . 3.3 m -86.33 120.92 36.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.87 ' CE2' HD11 ' A' ' 47' ' ' LEU . 0.9 OUTLIER -123.06 119.29 29.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 111.044 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 54' ' ' GLY . 11.9 m-20 -72.62 109.21 6.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -73.71 -29.89 62.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -70.71 -32.42 69.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.133 . . . . 0.0 110.313 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.459 ' OG1' ' CB ' ' A' ' 50' ' ' ASP . 1.0 OUTLIER -111.89 3.48 17.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.41 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 43.1 24.72 0.31 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.455 1.097 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.404 ' N ' ' C ' ' A' ' 53' ' ' THR . 3.1 mttt -118.27 145.78 37.92 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.56 0.8 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.579 ' HB3' ' CE1' ' A' ' 49' ' ' TYR . 18.3 Cg_endo -75.02 137.51 21.77 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.54 1.81 . . . . 0.0 111.028 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.872 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -59.65 -58.59 7.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 140.64 -16.31 2.87 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.524 1.14 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.906 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 40.8 p90 -126.74 157.21 39.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 0.78 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.481 ' HA3' ' CB ' ' A' ' 47' ' ' LEU . . . -168.28 -172.93 35.74 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.518 1.136 . . . . 0.0 110.987 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.575 ' CE2' ' HG ' ' A' ' 101' ' ' LEU . 37.0 m-85 -132.82 137.53 46.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 111.034 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.585 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 26.3 t -114.71 126.79 55.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 108.308 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.446 ' HA ' ' HA ' ' A' ' 17' ' ' SER . 4.4 tt0 -99.28 130.98 45.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.254 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.644 ' CE1' HG22 ' A' ' 69' ' ' THR . 7.2 m-85 -99.78 -168.61 1.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.476 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -109.59 -20.33 12.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.269 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -136.77 137.64 40.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.686 ' OE1' HD12 ' A' ' 71' ' ' LEU . 2.2 tm0? -57.26 -38.84 74.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 0.0 110.256 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -63.26 -37.82 88.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.297 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.644 HG22 ' CE1' ' A' ' 64' ' ' TYR . 25.7 m -66.88 -43.19 84.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 0.0 110.412 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.472 ' HB2' ' HB2' ' A' ' 64' ' ' TYR . . . -67.89 -39.39 83.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.686 HD12 ' OE1' ' A' ' 67' ' ' GLN . 6.2 mt -68.38 -42.61 78.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.466 ' C ' HG11 ' A' ' 39' ' ' VAL . 5.9 t -62.74 -38.8 91.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.973 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.851 ' CA ' HG11 ' A' ' 39' ' ' VAL . . . -66.56 -38.56 87.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.635 ' HG3' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -61.45 -48.5 80.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 111.024 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.9 ttm105 -76.76 -26.95 55.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 72' ' ' SER . 1.0 OUTLIER -77.66 -18.96 56.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.849 HD13 ' CE1' ' A' ' 36' ' ' PHE . 4.7 mt -119.39 -80.14 0.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.545 ' HB3' ' O ' ' A' ' 74' ' ' MET . 7.3 p-10 31.07 66.74 0.14 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.46 53.79 2.69 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.466 1.104 . . . . 0.0 111.014 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -88.32 121.01 30.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 110.344 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.81 135.34 47.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.331 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.494 ' O ' ' CB ' ' A' ' 83' ' ' SER . 14.1 t80 -179.7 116.69 0.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 111.029 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 82' ' ' PHE . 0.6 OUTLIER 85.12 13.89 0.2 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.972 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.48 ' O ' ' CD ' ' A' ' 85' ' ' ARG . . . 90.76 16.41 54.76 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.48 1.112 . . . . 0.0 110.98 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.48 ' CD ' ' O ' ' A' ' 84' ' ' GLY . 0.0 OUTLIER -150.99 159.82 44.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 0.745 . . . . 0.0 110.309 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -89.55 137.92 31.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.657 ' O ' HG23 ' A' ' 89' ' ' VAL . 1.9 mm? -90.58 87.88 6.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.93 124.8 18.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.336 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.707 HG21 ' HB2' ' A' ' 77' ' ' LEU . 3.3 t -125.32 124.23 66.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -139.63 135.91 33.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.423 ' C ' ' O ' ' A' ' 90' ' ' ASP . 2.1 t30 -37.83 136.1 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.597 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -82.93 48.46 1.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.404 ' HB3' HD22 ' A' ' 91' ' ' ASN . . . -156.2 24.99 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.496 ' O ' ' OD1' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -78.45 155.86 29.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.983 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -68.39 -33.28 73.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.1 pttt -82.22 -36.01 27.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.501 ' C ' ' OD1' ' A' ' 97' ' ' ASN . 0.5 OUTLIER -73.54 -16.69 61.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.457 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 0.1 OUTLIER -60.71 -35.53 76.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -68.16 -37.56 81.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.333 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.48 ' OE1' ' CZ ' ' A' ' 19' ' ' PHE . 8.7 mt-10 -72.13 -42.96 65.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.575 ' HG ' ' CE2' ' A' ' 61' ' ' PHE . 2.9 mt -60.84 -38.61 86.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.7 tttt -46.33 -30.88 2.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.4 m -85.78 -33.4 21.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.032 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.961 HD21 HG13 ' A' ' 48' ' ' VAL . 0.8 OUTLIER -79.21 -9.49 59.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 101' ' ' LEU . . . -73.02 -168.57 13.11 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.493 1.121 . . . . 0.0 110.978 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 7.0 m 61.75 139.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 0.0 110.394 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -69.2 -113.08 0.03 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.493 1.121 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 60.8 80.83 0.25 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.786 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 162.65 36.82 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.457 1.767 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 18.6 m -122.03 150.1 25.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.452 ' N ' ' HD3' ' A' ' 9' ' ' PRO . 1.9 m-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.452 ' HD3' ' N ' ' A' ' 8' ' ' ASP . 18.3 Cg_endo -75.0 140.01 24.94 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.525 1.802 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.28 -11.83 12.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 38.2 t -86.49 -33.04 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.55 -39.33 83.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.45 -41.49 80.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.593 ' CB ' ' HB2' ' A' ' 93' ' ' ALA . 0.4 OUTLIER -62.53 -39.89 95.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.982 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.521 HD13 ' NE2' ' A' ' 67' ' ' GLN . 1.1 mt -71.25 -12.71 61.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.49 ' O ' ' HB1' ' A' ' 70' ' ' ALA . 13.4 mtp180 -88.56 -79.41 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.29 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.503 ' O ' ' HB3' ' A' ' 92' ' ' ALA . 16.7 m -38.55 114.01 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.025 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.449 ' CG1' ' HG3' ' A' ' 74' ' ' MET . 0.0 OUTLIER -111.68 126.01 69.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 109.339 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.483 ' CE2' ' HB2' ' A' ' 59' ' ' TYR . 2.3 t80 -78.39 129.84 35.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.528 HG12 HD11 ' A' ' 23' ' ' ILE . 2.8 t -115.67 133.43 62.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -134.35 -174.53 13.52 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.43 1.081 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.445 ' CB ' ' O ' ' A' ' 86' ' ' ALA . 7.0 m-20 62.03 24.73 14.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 0.742 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.828 HG21 HD21 ' A' ' 32' ' ' LEU . 2.9 mt -96.44 113.87 63.34 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.47 ' HD3' ' CB ' ' A' ' 83' ' ' SER . 18.3 Cg_endo -74.94 174.83 12.09 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.464 1.771 . . . . 0.0 111.037 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.564 ' CE2' ' HD2' ' A' ' 56' ' ' PRO . 3.8 m-85 -74.31 -4.57 36.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 111.042 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.55 -9.32 44.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.155 . . . . 0.0 110.341 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.722 ' HB1' ' CD ' ' A' ' 31' ' ' GLN . . . -121.45 105.95 10.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.824 ' O ' HD22 ' A' ' 32' ' ' LEU . 4.5 p -95.95 176.93 5.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.355 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.882 ' HG3' HD11 ' A' ' 47' ' ' LEU . 24.4 mt-10 -55.32 -27.58 47.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -59.53 -33.08 70.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.722 ' CD ' ' HB1' ' A' ' 27' ' ' ALA . 0.2 OUTLIER -90.17 -45.61 8.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.26 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.828 HD21 HG21 ' A' ' 23' ' ' ILE . 0.4 OUTLIER -56.74 -49.02 76.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.918 ' HG3' HG11 ' A' ' 42' ' ' VAL . 0.2 OUTLIER -61.36 -37.71 84.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.231 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.37 -39.18 91.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.164 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.674 HG22 HD21 ' A' ' 77' ' ' LEU . 43.9 mt -68.09 -46.67 81.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.436 ' HZ ' HG22 ' A' ' 20' ' ' VAL . 3.9 m-85 -67.75 -29.42 68.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 111.059 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.486 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 54.5 p -63.96 -33.54 75.95 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.462 1.101 . . . . 0.0 110.0 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -63.7 -10.84 21.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.412 1.07 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.526 HG11 ' HB2' ' A' ' 73' ' ' ALA . 5.0 t -101.92 -11.07 8.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.092 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.486 ' O ' ' HA ' ' A' ' 37' ' ' SER . . . 148.26 -163.65 28.94 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.518 1.136 . . . . 0.0 110.97 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 135.29 18.85 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.499 1.789 . . . . 0.0 111.022 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.918 HG11 ' HG3' ' A' ' 33' ' ' LYS . 70.7 t -106.14 122.31 59.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.582 HG23 ' HB2' ' A' ' 65' ' ' GLN . 2.6 t -72.91 -74.44 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.344 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.57 ' N ' HG12 ' A' ' 43' ' ' VAL . 0.2 OUTLIER -137.33 174.45 10.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.0 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.589 ' CD2' ' SG ' ' A' ' 62' ' ' CYS . 0.7 OUTLIER -167.5 113.2 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 111.011 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -132.99 137.34 46.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.882 HD11 ' HG3' ' A' ' 29' ' ' GLU . 0.2 OUTLIER -111.78 178.6 4.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 1.069 HG12 HD13 ' A' ' 104' ' ' LEU . 3.3 m -90.22 122.45 41.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.517 ' CZ ' ' HB3' ' A' ' 56' ' ' PRO . 0.9 OUTLIER -127.29 119.35 26.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 54' ' ' GLY . 26.5 m-20 -71.55 109.28 5.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 78.3 mtm-85 -72.99 -31.97 64.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -71.89 -32.72 67.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 60.3 m -104.49 -3.4 24.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 110.397 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . 48.43 21.43 2.0 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.5 mmtt -118.06 144.93 35.74 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.487 0.757 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.564 ' HD2' ' CE2' ' A' ' 25' ' ' TYR . 18.2 Cg_endo -74.97 139.59 24.54 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.48 1.779 . . . . 0.0 110.983 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.887 ' HB2' HG23 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -61.46 -56.64 17.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.262 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 137.81 -21.37 3.2 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.544 1.152 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.859 ' CZ ' HG21 ' A' ' 48' ' ' VAL . 53.1 p90 -124.64 157.25 35.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 0.789 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.763 ' HA3' HD23 ' A' ' 47' ' ' LEU . . . -156.35 -171.86 23.1 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.567 ' CZ ' ' HG ' ' A' ' 101' ' ' LEU . 72.4 m-85 -132.33 137.76 47.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 0.764 . . . . 0.0 110.98 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.589 ' SG ' ' CD2' ' A' ' 45' ' ' PHE . 24.3 t -114.07 124.16 51.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 108.313 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.93 125.92 46.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.542 ' CE1' HG22 ' A' ' 69' ' ' THR . 2.6 m-85 -95.13 -167.35 1.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.582 ' HB2' HG23 ' A' ' 43' ' ' VAL . 3.4 tt0 -114.58 -15.01 12.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.252 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -139.94 135.89 33.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.521 ' NE2' HD13 ' A' ' 15' ' ' LEU . 11.3 tt0 -57.44 -38.57 74.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -63.03 -37.77 88.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.542 HG22 ' CE1' ' A' ' 64' ' ' TYR . 3.0 m -67.53 -42.51 82.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.438 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.49 ' HB1' ' O ' ' A' ' 16' ' ' ARG . . . -68.06 -39.46 83.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.9 mt -69.16 -42.15 76.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.443 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 3.6 m -64.78 -37.78 88.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 109.951 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.526 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -66.76 -38.63 86.98 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.661 ' HG2' HG12 ' A' ' 89' ' ' VAL . 0.0 OUTLIER -63.56 -47.02 83.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 111.018 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.78 -25.59 49.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.281 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 72' ' ' SER . 58.2 m-20 -75.6 -35.33 60.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.674 HD21 HG22 ' A' ' 35' ' ' ILE . 6.1 mp -103.67 -91.36 0.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.512 ' CB ' ' O ' ' A' ' 74' ' ' MET . 1.2 t-20 37.72 88.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 71.74 43.16 52.06 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.479 1.112 . . . . 0.0 110.963 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.11 120.56 27.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.782 . . . . 0.0 110.313 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -60.73 135.6 57.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.656 ' CE1' ' NE2' ' A' ' 31' ' ' GLN . 5.3 t80 -178.23 -42.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.985 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.501 ' OG ' ' CD2' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -88.49 18.98 4.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.018 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.27 5.85 86.82 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.502 1.126 . . . . 0.0 111.036 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.579 ' O ' ' HB2' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -142.26 -77.36 0.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 0.78 . . . . 0.0 110.329 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.579 ' HB2' ' O ' ' A' ' 85' ' ' ARG . . . 171.34 139.0 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.254 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.567 ' O ' HG23 ' A' ' 89' ' ' VAL . 0.2 OUTLIER -89.36 94.5 9.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.04 110.61 2.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 110.288 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.661 HG12 ' HG2' ' A' ' 74' ' ' MET . 38.9 t -115.42 121.55 67.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.76 154.4 46.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.729 HD22 ' HB3' ' A' ' 93' ' ' ALA . 2.3 t30 -54.19 122.68 10.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -57.45 -17.98 15.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.729 ' HB3' HD22 ' A' ' 91' ' ' ASN . . . -90.73 38.46 0.95 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.407 ' HB2' ' ND2' ' A' ' 97' ' ' ASN . 0.4 OUTLIER -92.23 154.47 18.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.972 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.75 -36.89 82.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.289 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -81.47 -33.86 31.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.407 ' ND2' ' HB2' ' A' ' 94' ' ' SER . 78.9 m-20 -72.34 -19.83 61.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -64.54 -43.95 92.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -62.53 -36.05 81.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.244 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.541 ' OE1' ' CZ ' ' A' ' 59' ' ' TYR . 2.0 mm-40 -71.57 -42.94 67.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.284 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.567 ' HG ' ' CZ ' ' A' ' 61' ' ' PHE . 0.6 OUTLIER -63.02 -32.77 74.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -51.96 -28.49 16.88 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.45 -35.95 20.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.012 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 1.069 HD13 HG12 ' A' ' 48' ' ' VAL . 3.3 tp -79.41 -9.59 59.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 101' ' ' LEU . . . -88.5 -111.78 1.14 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.9 t -38.78 147.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.77 . . . . 0.0 110.412 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 79.12 69.18 1.42 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.456 1.097 . . . . 0.0 110.966 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -131.66 78.52 70.63 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.461 0.742 . . . . 0.0 109.317 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -169.49 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.544 1.813 . . . . 0.0 110.977 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 31.7 m -125.13 136.74 59.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ILE . . . . . 0.512 ' C ' HD13 ' A' ' 111' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 stop_ save_