data_1ufg_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 1ufg _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 ' 33' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.622 -0.511 . . . . 0.0 109.622 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -103.25 158.35 16.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.71 99.79 1.88 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.127 . . . . 0.0 110.28 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -79.07 148.11 32.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.418 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.2 OUTLIER -156.25 82.16 0.99 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.988 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 157.77 -133.76 3.64 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.471 ' CG ' ' HB3' ' A' ' 58' ' ' SER . 4.4 mtm180 -108.1 -41.12 5.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 0.802 . . . . 0.0 110.321 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.457 HG13 ' CD2' ' A' ' 89' ' ' LEU . 61.4 t -91.42 144.29 9.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.438 ' N ' HG12 ' A' ' 40' ' ' VAL . . . -132.96 143.37 49.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.448 ' HA ' ' CD2' ' A' ' 54' ' ' LEU . 59.9 t -70.49 88.38 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -40.39 -67.23 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.272 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -159.77 132.39 6.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.319 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.482 HG22 ' CG1' ' A' ' 52' ' ' VAL . 8.0 t -120.95 112.29 35.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -53.32 118.62 3.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -53.88 -37.43 63.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.406 ' O ' ' SG ' ' A' ' 122' ' ' CYS . 18.4 mt-10 -62.57 -24.72 67.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.23 33.04 12.38 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.503 1.127 . . . . 0.0 111.052 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.3 mtmm -77.87 -44.42 27.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 0.747 . . . . 0.0 109.327 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.557 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 48.3 p90 -158.34 160.42 36.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.482 ' CG1' HG22 ' A' ' 45' ' ' VAL . 46.6 t -121.92 112.97 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.95 121.18 37.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.448 ' CD2' ' HA ' ' A' ' 42' ' ' VAL . 31.2 mt -117.41 129.47 55.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.421 ' CZ ' ' HE2' ' A' ' 57' ' ' LYS . 0.5 OUTLIER -121.25 150.06 41.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -96.78 142.85 28.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.421 ' HE2' ' CZ ' ' A' ' 55' ' ' ARG . 5.7 mmtt -110.04 -25.31 10.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.471 ' HB3' ' CG ' ' A' ' 39' ' ' ARG . 62.2 p -64.53 169.14 5.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.982 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -105.31 -11.39 16.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.157 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 61' ' ' ASP . 7.2 mt-10 -105.22 126.2 51.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.447 ' OD2' ' CE ' ' A' ' 90' ' ' LYS . 0.2 OUTLIER -40.35 127.68 2.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 89' ' ' LEU . 56.1 tp60 -99.48 128.73 45.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.33 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 74.3 p -91.31 124.07 35.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.996 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.568 ' HA ' ' CD1' ' A' ' 67' ' ' TRP . 0.3 OUTLIER -116.96 45.36 1.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.516 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -86.18 58.15 4.75 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.446 1.091 . . . . 0.0 111.056 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.516 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER 154.62 -23.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 0.77 . . . . 0.0 109.332 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.568 ' CD1' ' HA ' ' A' ' 64' ' ' MET . 11.8 m0 -43.88 163.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 131' ' ' ILE . 5.9 mt-30 -151.86 167.04 29.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.513 HD13 ' CZ ' ' A' ' 83' ' ' PHE . 4.0 mt -127.62 122.56 59.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.3 mtt-85 -91.3 121.26 32.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.416 1.073 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.412 ' NH1' ' OG1' ' A' ' 128' ' ' THR . 17.3 tpt180 -116.85 112.13 20.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 110.28 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.409 ' O ' ' CB ' ' A' ' 127' ' ' ARG . 0.4 OUTLIER -130.43 110.26 11.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.292 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 179.994 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.9 tp . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -107.03 130.45 54.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 16.9 m -110.42 95.2 5.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.369 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.49 ' CD2' HD11 ' A' ' 69' ' ' ILE . 57.0 t80 -72.0 97.32 1.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -80.67 118.13 21.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.137 . . . . 0.0 110.31 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.513 ' CZ ' HD13 ' A' ' 69' ' ' ILE . 17.7 m-85 -63.61 167.69 6.74 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.411 ' O ' ' HA2' ' A' ' 65' ' ' GLY . 18.3 Cg_endo -74.99 148.78 35.81 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.464 1.771 . . . . 0.0 110.982 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.419 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.2 Cg_endo -75.0 4.65 4.55 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.51 1.795 . . . . 0.0 111.03 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.53 50.14 2.04 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -128.72 143.76 51.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.6 m -143.67 112.21 6.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.44 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.457 ' CD2' HG13 ' A' ' 40' ' ' VAL . 47.9 tp -87.52 93.61 9.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.447 ' CE ' ' OD2' ' A' ' 61' ' ' ASP . 12.7 mtpt -47.34 168.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.6 135.59 39.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 70.65 7.5 61.45 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.77 173.36 10.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 0.753 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.404 HG21 ' N ' ' A' ' 95' ' ' VAL . 14.1 p -145.21 155.9 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.256 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.421 HG21 ' N ' ' A' ' 96' ' ' THR . 10.3 p -144.31 147.12 19.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 112' ' ' LEU . 21.6 m -122.12 122.98 40.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.386 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 4.0 mp -108.25 84.72 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.347 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.557 ' CE3' ' HB3' ' A' ' 51' ' ' PHE . 69.7 m95 -69.24 164.37 22.89 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 100' ' ' SER . . . -105.66 145.2 31.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.257 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 99' ' ' ALA . 1.8 t -38.4 -55.03 1.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.013 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -95.55 75.79 0.85 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.506 1.129 . . . . 0.0 110.951 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 103' ' ' GLY . . . -156.81 25.79 0.33 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 0.77 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 102' ' ' ALA . . . 36.58 53.28 1.4 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.463 1.102 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.515 ' HB2' ' CG ' ' A' ' 98' ' ' TRP . . . -101.35 -168.0 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.775 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -149.49 107.45 3.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.409 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.533 ' HD1' ' N ' ' A' ' 113' ' ' VAL . 7.1 t60 -48.74 107.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.598 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.472 ' CB ' ' HB2' ' A' ' 111' ' ' ASP . 0.4 OUTLIER -139.31 65.46 34.88 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.036 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.508 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.1 Cg_endo -75.04 168.87 23.85 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.525 1.803 . . . . 0.0 110.977 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.508 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.4 Cg_endo -74.95 -14.82 22.76 Favored 'Cis proline' 0 C--N 1.359 1.125 0 C-N-CA 121.061 -2.475 . . . . 0.0 111.003 -0.017 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.48 ' OG1' ' N ' ' A' ' 111' ' ' ASP . 68.0 p -55.68 -81.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 110.415 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.48 ' N ' ' OG1' ' A' ' 110' ' ' THR . 5.4 m-20 -79.48 149.14 31.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.468 HD23 ' CE1' ' A' ' 106' ' ' HIS . 24.7 mt -140.56 163.55 32.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.533 ' N ' ' HD1' ' A' ' 106' ' ' HIS . 53.4 t -132.34 112.89 20.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.504 ' CE2' ' HB2' ' A' ' 117' ' ' GLN . 6.8 t90 -75.32 97.19 3.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 107.982 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.83 -46.34 18.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -39.93 -56.07 1.89 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.504 ' HB2' ' CE2' ' A' ' 114' ' ' TRP . 1.2 mm100 -90.14 176.17 6.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.342 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -109.81 -22.68 11.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' THR . . . . . 0.408 ' HA ' ' CB ' ' A' ' 99' ' ' ALA . 14.2 t -174.9 143.85 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.406 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 70.3 m95 -54.13 -46.06 72.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 107.985 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 132.07 142.2 4.88 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 48' ' ' GLU . 2.9 m -111.4 -176.39 2.93 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 126.33 158.63 9.96 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.477 1.111 . . . . 0.0 111.038 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 4.6 p -59.45 -53.04 62.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 0.743 . . . . 0.0 109.993 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.5 m -95.02 125.07 39.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.949 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -134.89 151.21 50.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.409 ' CB ' ' O ' ' A' ' 72' ' ' GLN . 7.1 ttt-85 -139.12 121.04 15.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.32 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.412 ' OG1' ' NH1' ' A' ' 71' ' ' ARG . 24.1 m -131.62 114.31 14.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.405 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -122.33 162.82 20.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.478 HD21 ' CG2' ' A' ' 138' ' ' VAL . 14.3 tp -115.85 127.83 55.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 68' ' ' GLN . 26.5 mm -114.83 116.48 52.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 133' ' ' SER . 16.0 p30 -66.08 -174.15 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 132' ' ' ASN . 0.0 OUTLIER -37.48 -61.67 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.031 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 136' ' ' GLU . 70.7 p -75.07 161.3 29.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.419 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -68.49 58.64 0.46 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 134' ' ' THR . 18.7 tt0 -136.41 136.95 39.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 0.746 . . . . 0.0 110.271 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -84.77 139.44 31.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 110.284 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.478 ' CG2' HD21 ' A' ' 130' ' ' LEU . 1.6 m -109.15 -40.29 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -140.01 146.45 39.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.26 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 19.8 ptm -128.78 152.18 48.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . 0.418 ' HD3' ' CG1' ' A' ' 42' ' ' VAL . 0.8 OUTLIER -146.97 95.26 2.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 32.5 tttt -98.8 153.17 18.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -148.06 123.79 10.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 11.7 t -125.28 123.76 65.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 27.3 ttt85 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.275 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -97.62 161.69 13.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -164.12 115.92 1.34 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -92.91 146.78 23.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.394 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 138' ' ' VAL . 4.8 m -156.14 81.91 0.99 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.003 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.25 -138.0 5.43 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.419 ' CB ' ' HB2' ' A' ' 58' ' ' SER . 32.5 mtm180 -102.25 -42.44 6.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.762 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.41 HG23 ' CD2' ' A' ' 89' ' ' LEU . 95.6 t -91.66 152.39 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 43' ' ' GLU . . . -139.01 132.98 31.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 43' ' ' GLU . 81.1 t -58.72 86.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -38.68 -59.88 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.308 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -168.2 128.02 1.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.0 t -118.0 111.81 35.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -55.64 113.08 1.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.455 ' HB2' ' CD1' ' A' ' 126' ' ' LEU . 4.5 pt-20 -54.63 -34.23 61.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.438 1.086 . . . . 0.0 110.281 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -57.48 -26.29 61.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.314 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.431 ' CA ' ' HB2' ' A' ' 120' ' ' TRP . . . 86.85 45.07 5.55 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 99' ' ' ALA . 7.0 mtmm -98.18 -51.34 4.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.556 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 45.3 p90 -150.8 155.48 39.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.969 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.521 HG22 ' CE2' ' A' ' 120' ' ' TRP . 3.8 t -118.12 112.95 40.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.13 127.92 41.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.0 mt -124.76 127.08 46.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.8 ttp180 -120.35 148.01 44.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 58' ' ' SER . 40.2 t-20 -93.77 139.71 30.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.426 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 9.3 mmtt -108.56 -35.09 6.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.453 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 2.3 t -62.42 172.29 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.977 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -102.46 -17.58 15.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.264 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -92.36 123.16 35.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -46.32 125.31 6.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.488 ' NE2' ' N ' ' A' ' 63' ' ' SER . 24.4 tp60 -91.07 128.28 36.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.488 ' N ' ' NE2' ' A' ' 62' ' ' GLN . 10.3 m -93.58 117.65 30.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.99 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.536 ' HA ' ' CD1' ' A' ' 67' ' ' TRP . 6.4 mtp -109.09 42.79 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.543 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -84.85 56.15 5.0 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.543 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.5 OUTLIER 153.11 -22.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 0.0 109.279 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.536 ' CD1' ' HA ' ' A' ' 64' ' ' MET . 12.1 m0 -45.08 167.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 107.987 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -149.33 169.82 19.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.268 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.587 HD13 ' CZ ' ' A' ' 83' ' ' PHE . 6.1 mt -129.76 116.63 38.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.46 ' CZ ' HD23 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -92.89 115.56 28.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.249 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -113.75 102.56 10.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.434 ' OE1' ' N ' ' A' ' 73' ' ' ASN . 3.3 tp-100 -105.35 131.99 52.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.267 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.434 ' N ' ' OE1' ' A' ' 72' ' ' GLN . 82.6 m-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.46 HD23 ' CZ ' ' A' ' 70' ' ' ARG . 18.7 tp . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -115.35 152.45 32.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 88.5 m -138.31 89.56 2.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.443 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.429 ' CD1' HD13 ' A' ' 69' ' ' ILE . 38.0 t80 -72.88 103.32 3.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.54 117.82 23.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.143 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.587 ' CZ ' HD13 ' A' ' 69' ' ' ILE . 18.7 m-85 -63.14 167.53 6.21 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 150.62 38.25 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.523 1.801 . . . . 0.0 110.942 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.43 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.3 Cg_endo -75.02 3.16 5.88 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.497 1.788 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.406 ' N ' ' HD2' ' A' ' 86' ' ' LYS . 0.2 OUTLIER -123.67 45.74 2.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.582 1.176 . . . . 0.0 109.259 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -128.13 141.37 51.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 111.031 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.1 m -147.04 112.53 5.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.383 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.41 ' CD2' HG23 ' A' ' 40' ' ' VAL . 48.0 tp -85.84 97.58 10.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.3 mtpt -50.58 168.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.441 ' O ' ' NE2' ' A' ' 93' ' ' GLN . . . -79.85 134.81 36.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 76.62 2.81 76.91 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 91' ' ' ALA . 0.9 OUTLIER -90.4 176.01 6.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 110.284 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.417 HG21 ' N ' ' A' ' 95' ' ' VAL . 14.5 p -146.52 157.5 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.249 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.435 HG23 ' N ' ' A' ' 96' ' ' THR . 7.7 p -143.12 146.89 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 109.36 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 112' ' ' LEU . 3.0 m -119.73 131.31 55.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.381 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 4.2 mp -118.24 80.37 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.556 ' CE3' ' HB3' ' A' ' 51' ' ' PHE . 43.7 m95 -65.44 165.05 12.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 108.056 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 50' ' ' LYS . . . -111.42 138.76 47.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 99' ' ' ALA . 3.5 t -38.11 -45.01 0.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.965 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -45.36 -63.76 2.57 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.54 162.23 2.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 0.761 . . . . 0.0 109.338 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -97.48 48.82 1.5 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.474 1.109 . . . . 0.0 111.018 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.495 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -76.0 -175.74 3.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -134.53 120.55 19.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.381 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -58.16 111.29 1.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.627 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.472 ' CB ' ' HB2' ' A' ' 111' ' ' ASP . 0.5 OUTLIER -143.14 69.3 18.06 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.011 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.516 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.2 Cg_endo -75.0 169.02 23.55 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.486 1.782 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.516 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -75.03 -12.81 23.98 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.05 -2.479 . . . . 0.0 111.03 0.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.544 ' OG1' ' N ' ' A' ' 111' ' ' ASP . 43.3 p -58.81 -88.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.389 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.544 ' N ' ' OG1' ' A' ' 110' ' ' THR . 77.6 m-20 -67.29 148.06 52.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.473 ' CD2' ' HB3' ' A' ' 108' ' ' PRO . 36.3 mt -145.29 151.75 38.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 53.8 t -124.74 115.33 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.501 ' CD2' ' HB2' ' A' ' 117' ' ' GLN . 7.0 t90 -77.0 95.16 4.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 108.038 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -79.43 -46.09 18.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.348 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -40.3 -43.48 1.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.501 ' HB2' ' CD2' ' A' ' 114' ' ' TRP . 1.3 mm100 -101.69 176.33 5.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.29 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.491 ' ND2' ' H ' ' A' ' 118' ' ' ASN . 0.1 OUTLIER -114.56 -8.87 12.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' THR . . . . . 0.428 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 1.3 t 179.66 160.03 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.365 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.521 ' CE2' HG22 ' A' ' 52' ' ' VAL . 51.0 m95 -77.47 -32.88 54.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 108.025 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 118.56 132.91 4.65 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 1.1 t -106.16 -153.22 0.49 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 110.48 176.29 20.71 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.544 1.152 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.64 -26.53 25.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.764 . . . . 0.0 109.974 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -113.53 118.07 33.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.991 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.455 ' CD1' ' HB2' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -135.03 154.05 51.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -158.05 104.94 1.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.29 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 5.8 m -98.7 154.48 17.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 110.375 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -151.07 154.22 36.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.105 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 14.3 tp -119.8 130.32 54.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.456 ' CD1' ' HA ' ' A' ' 137' ' ' GLU . 18.2 mm -117.02 146.65 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 136' ' ' GLU . 7.4 p30 -92.45 -172.5 3.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.417 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . 28.0 t -44.88 -38.19 4.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.013 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 136' ' ' GLU . 3.6 p -94.59 158.36 15.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.368 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -67.58 63.32 0.29 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.518 1.136 . . . . 0.0 111.04 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . 0.453 ' O ' ' ND2' ' A' ' 132' ' ' ASN . 14.4 tt0 -145.35 134.86 23.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.456 ' HA ' ' CD1' ' A' ' 131' ' ' ILE . 7.0 tt0 -80.81 146.83 30.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.346 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 37' ' ' SER . 1.2 m -114.58 -35.67 2.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -149.51 161.59 41.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 4.6 ppp? -150.18 155.74 40.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 111.017 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 4.2 ttm-85 -138.27 85.22 2.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 36.0 tttt -74.74 147.78 41.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -149.56 104.06 3.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 3.7 t -113.87 122.5 68.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 61.9 ttt-85 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.314 179.985 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 55.5 m-70 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -93.51 162.26 14.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.06 105.9 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -87.51 148.61 24.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.162 . . . . 0.0 110.383 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 138' ' ' VAL . 7.7 m -155.03 82.66 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.006 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 158.4 -138.21 5.63 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.531 1.144 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.9 mtm180 -102.54 -35.9 8.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 0.742 . . . . 0.0 110.291 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 87.3 t -94.92 156.68 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -144.94 133.56 22.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.098 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 43' ' ' GLU . 58.0 t -61.1 87.86 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -38.54 -58.2 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -172.39 135.81 0.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.494 HG21 ' CG1' ' A' ' 52' ' ' VAL . 11.5 t -122.04 114.45 42.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.469 ' OD2' ' CE2' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -53.78 113.44 1.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -56.08 -37.06 68.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 110.268 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -56.34 -25.56 49.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 84.97 63.71 1.58 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.472 1.108 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.5 mtmt -118.99 -52.08 2.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.582 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 37.2 p90 -144.94 159.75 42.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 111.03 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.529 HG21 ' CE2' ' A' ' 120' ' ' TRP . 73.8 t -120.79 111.68 32.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.05 127.96 38.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 110.262 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.469 ' CD1' HD13 ' A' ' 69' ' ' ILE . 8.0 mt -129.62 127.4 40.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.402 ' NE ' ' HZ1' ' A' ' 57' ' ' LYS . 24.1 ttp180 -123.19 147.38 46.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -89.44 145.56 25.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.402 ' HZ1' ' NE ' ' A' ' 55' ' ' ARG . 10.1 mmpt? -109.76 -28.32 8.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.9 t -63.02 174.62 1.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 110.013 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.04 -12.27 15.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -103.65 129.2 50.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.359 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.59 126.3 6.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -96.81 127.86 43.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.313 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.0 t -90.6 123.63 34.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.419 1.074 . . . . 0.0 109.979 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 20.0 mtp -108.38 36.61 2.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -79.91 54.94 4.49 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER 156.77 -27.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 0.756 . . . . 0.0 109.309 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.481 ' CG ' ' HA ' ' A' ' 132' ' ' ASN . 11.6 m0 -46.81 153.79 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.424 ' HG3' ' C ' ' A' ' 67' ' ' TRP . 0.0 OUTLIER -136.17 173.73 11.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.683 ' CD1' ' CE2' ' A' ' 83' ' ' PHE . 3.1 mt -136.69 115.52 15.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 47.1 mtt-85 -91.52 134.96 34.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -134.78 116.37 14.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.406 ' HB2' ' CD1' ' A' ' 78' ' ' LEU . 15.9 tm0? -137.16 110.18 7.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.329 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 32.9 m-20 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 -179.983 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.406 ' CD1' ' HB2' ' A' ' 72' ' ' GLN . 11.6 tp . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 49.2 mtm -108.7 155.0 21.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 66.2 m -140.37 101.35 4.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.4 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -82.77 102.52 11.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.956 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 -86.1 115.98 24.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 110.302 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.683 ' CE2' ' CD1' ' A' ' 69' ' ' ILE . 29.0 m-85 -61.74 166.02 6.67 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.503 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.2 Cg_endo -75.06 145.47 31.29 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.531 1.806 . . . . 0.0 110.952 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 24.23 0.39 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.474 1.776 . . . . 0.0 111.034 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.503 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.0 OUTLIER -144.25 41.99 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -125.31 137.71 54.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.1 m -135.78 113.39 10.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 110.384 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.407 ' O ' ' O ' ' A' ' 90' ' ' LYS . 36.2 tp -89.0 95.91 10.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 89' ' ' LEU . 0.7 OUTLIER -44.29 166.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.275 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.452 ' O ' ' NE2' ' A' ' 93' ' ' GLN . . . -78.41 136.36 37.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.96 7.72 71.44 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.55 1.156 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.452 ' NE2' ' O ' ' A' ' 91' ' ' ALA . 1.0 OUTLIER -93.16 172.59 8.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.772 . . . . 0.0 110.36 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.5 p -141.44 158.15 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.4 p -143.45 131.64 19.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 112' ' ' LEU . 6.7 m -107.78 123.29 48.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 110.371 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.401 HD11 ' N ' ' A' ' 97' ' ' ILE . 4.1 mp -107.36 84.08 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.582 ' CE3' ' HB3' ' A' ' 51' ' ' PHE . 53.6 m95 -67.98 164.14 20.64 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 100' ' ' SER . . . -112.14 141.35 45.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 99' ' ' ALA . 2.4 t -37.45 -51.3 1.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.981 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 118' ' ' ASN . . . -81.14 55.12 4.8 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.535 1.147 . . . . 0.0 111.022 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -135.55 -46.71 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 100.61 24.61 9.21 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.559 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -80.74 -170.01 2.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 0.731 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.1 m -134.29 121.78 21.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 110.396 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.474 ' NE2' ' HG3' ' A' ' 108' ' ' PRO . 20.6 t60 -58.11 93.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.659 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 111' ' ' ASP . 0.5 OUTLIER -130.32 66.54 78.39 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.028 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.542 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.2 Cg_endo -75.1 169.86 21.66 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.486 1.782 . . . . 0.0 110.982 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.542 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.2 Cg_endo -75.01 -12.91 23.92 Favored 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 121.02 -2.492 . . . . 0.0 110.99 0.032 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 107' ' ' SER . 37.5 p -56.86 -83.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.423 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 107' ' ' SER . 0.8 OUTLIER -81.84 144.11 31.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.503 ' CD2' ' HB3' ' A' ' 108' ' ' PRO . 15.4 mt -139.69 162.31 35.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 65.2 t -132.67 122.31 46.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.504 ' CD2' ' HB2' ' A' ' 117' ' ' GLN . 7.0 t90 -86.3 97.59 10.48 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -80.05 -44.82 19.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -42.25 -40.73 2.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.504 ' HB2' ' CD2' ' A' ' 114' ' ' TRP . 1.0 OUTLIER -107.37 175.65 5.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.263 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 101' ' ' GLY . 3.6 p30 -114.88 -24.44 8.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' THR . . . . . 0.431 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 14.1 t -161.22 148.77 15.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.138 . . . . 0.0 110.391 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.529 ' CE2' HG21 ' A' ' 52' ' ' VAL . 46.7 m95 -67.9 -41.62 82.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 107.962 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 134.62 137.73 3.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.477 1.11 . . . . 0.0 111.035 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 7.1 p -117.43 -170.85 1.93 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 118.37 151.95 9.21 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.472 1.108 . . . . 0.0 110.97 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 74.5 p -53.6 -45.52 70.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 0.78 . . . . 0.0 110.008 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 59.7 p -93.9 120.8 34.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.963 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -136.73 151.37 49.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 16.0 ttp85 -159.5 114.83 2.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.338 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.418 HG23 ' N ' ' A' ' 129' ' ' ALA . 8.6 m -111.19 158.68 18.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.398 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.418 ' N ' HG23 ' A' ' 128' ' ' THR . . . -151.2 156.82 41.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.423 1.077 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 13.2 tp -122.58 130.39 52.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.443 HG22 ' N ' ' A' ' 132' ' ' ASN . 30.5 mm -110.48 146.89 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . 0.481 ' HA ' ' CG ' ' A' ' 67' ' ' TRP . 11.7 p30 -100.34 -166.43 1.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.454 ' OG ' ' N ' ' A' ' 134' ' ' THR . 6.8 p -36.42 -63.61 0.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.988 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.454 ' N ' ' OG ' ' A' ' 133' ' ' SER . 7.4 t -81.54 162.21 23.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.379 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -67.39 64.84 0.26 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 110.967 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -140.09 138.86 35.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 0.797 . . . . 0.0 110.307 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.416 ' HG2' ' N ' ' A' ' 138' ' ' VAL . 0.5 OUTLIER -83.11 138.58 33.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 110.366 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 37' ' ' SER . 2.2 m -109.17 -31.34 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -146.81 158.47 43.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 22.0 ptm -143.55 147.73 34.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 111.026 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 21.7 ttm-85 -131.6 96.64 4.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.362 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -89.72 147.16 24.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -152.64 117.91 5.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 7.1 t -126.45 120.22 55.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 110.263 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.651 ' O ' ' CG ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.404 ' CB ' ' HG3' ' A' ' 141' ' ' ARG . . . -104.26 161.53 13.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.64 109.75 2.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.5 145.77 24.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.428 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.2 OUTLIER -156.22 81.43 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.976 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 163.09 -136.98 4.55 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.433 1.083 . . . . 0.0 111.035 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.449 ' CB ' ' HB3' ' A' ' 58' ' ' SER . 8.8 mtm180 -102.81 -36.95 8.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 0.767 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.411 ' CG1' ' N ' ' A' ' 41' ' ' ALA . 81.4 t -94.87 167.4 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 109.344 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 43' ' ' GLU . . . -154.38 132.35 11.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.438 ' CG1' ' CD ' ' A' ' 141' ' ' ARG . 58.2 t -59.46 86.94 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 41' ' ' ALA . 4.3 tm-20 -39.81 -59.87 1.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.327 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -169.27 129.62 1.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.323 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.468 HG23 ' CG1' ' A' ' 52' ' ' VAL . 14.4 t -118.16 111.31 33.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -51.51 111.92 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.333 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -53.43 -37.01 62.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -54.56 -30.07 53.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.336 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.39 40.32 5.76 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.459 1.099 . . . . 0.0 111.012 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -94.58 -50.13 5.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 0.784 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.572 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 25.2 p90 -149.56 158.76 44.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.52 HG22 ' CE2' ' A' ' 120' ' ' TRP . 10.8 t -119.87 119.75 61.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.73 128.81 47.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.492 ' CD1' HD11 ' A' ' 69' ' ' ILE . 13.1 mt -128.45 127.98 43.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.8 ttp180 -121.32 148.87 43.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.318 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.417 ' ND2' ' HA ' ' A' ' 91' ' ' ALA . 49.1 t-20 -92.33 140.18 29.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.36 -34.13 8.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.449 ' HB3' ' CB ' ' A' ' 39' ' ' ARG . 2.3 p -61.89 166.53 4.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.985 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -102.39 -3.5 26.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -108.19 128.9 55.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -43.84 127.31 5.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.284 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 50.8 tp60 -101.69 117.65 35.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.1 t -79.88 125.17 29.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 110.001 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 52.8 mtp -115.54 38.84 3.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 111.041 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.463 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -82.13 54.29 4.84 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.464 1.103 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.3 OUTLIER 159.33 -28.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 0.785 . . . . 0.0 109.272 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 12.1 m0 -42.63 154.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 107.966 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -138.4 172.42 12.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 110.293 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.605 ' CD1' ' CE2' ' A' ' 83' ' ' PHE . 2.0 mt -134.75 120.82 32.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 109.315 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 40.6 mtt-85 -95.19 135.44 36.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.411 ' NH1' ' OG1' ' A' ' 128' ' ' THR . 0.3 OUTLIER -138.6 122.47 17.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 110.283 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -135.14 110.64 9.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.366 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.449 ' N ' ' OD1' ' A' ' 73' ' ' ASN . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.9 tp . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -108.23 134.62 50.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 92.0 m -121.92 97.64 5.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 110.385 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -78.31 105.09 9.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.39 113.04 24.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.605 ' CE2' ' CD1' ' A' ' 69' ' ' ILE . 33.8 m-85 -58.08 165.36 2.71 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.962 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.451 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.3 Cg_endo -74.96 147.05 33.58 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.521 1.801 . . . . 0.0 111.03 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.459 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.1 Cg_endo -75.03 18.64 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.507 1.793 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.451 ' H ' ' C ' ' A' ' 84' ' ' PRO . 1.0 OUTLIER -135.64 37.89 2.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -128.75 139.48 52.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.989 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.75 116.56 10.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.422 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 32.7 tp -86.23 98.11 10.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.289 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -47.4 171.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.45 ' O ' ' NE2' ' A' ' 93' ' ' GLN . . . -82.31 138.43 34.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 71.24 4.13 55.24 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.507 1.129 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 91' ' ' ALA . 1.1 mp0 -90.64 171.32 9.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 0.797 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.4 p -141.62 155.32 20.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.429 HG22 ' N ' ' A' ' 96' ' ' THR . 3.6 p -142.16 141.12 29.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.429 ' N ' HG22 ' A' ' 95' ' ' VAL . 3.4 m -117.61 130.23 56.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 110.41 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.4 mp -115.33 87.15 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.619 ' CB ' ' CB ' ' A' ' 104' ' ' ALA . 41.8 m95 -68.62 162.85 25.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 107.974 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 100' ' ' SER . . . -106.97 140.51 39.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 99' ' ' ALA . 6.0 t -38.69 -43.36 0.89 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.09 . . . . 0.0 110.004 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -49.1 -64.41 3.33 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.54 1.15 . . . . 0.0 111.007 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.29 162.56 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -94.81 43.99 2.25 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.619 ' CB ' ' CB ' ' A' ' 98' ' ' TRP . . . -72.95 -170.29 0.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 0.766 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.1 m -145.46 125.08 13.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.15 . . . . 0.0 110.395 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.48 ' NE2' ' HG3' ' A' ' 108' ' ' PRO . 20.2 t60 -60.24 95.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.596 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -131.55 65.63 76.44 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 110.02 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.543 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.2 Cg_endo -75.01 170.0 21.39 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.572 1.827 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.543 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.2 Cg_endo -75.0 -13.65 23.5 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.969 -2.513 . . . . 0.0 110.996 -0.003 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 36.5 p -55.89 -84.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.41 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -80.32 146.69 31.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.486 ' CD2' ' HB3' ' A' ' 108' ' ' PRO . 16.3 mt -141.25 160.09 40.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.406 HG21 ' N ' ' A' ' 106' ' ' HIS . 64.7 t -129.86 124.59 59.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.516 ' CD2' ' HB2' ' A' ' 117' ' ' GLN . 7.2 t90 -87.41 99.42 11.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 107.985 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.48 -43.79 18.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -43.46 -41.97 4.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.516 ' HB2' ' CD2' ' A' ' 114' ' ' TRP . 1.6 mm-40 -104.39 170.48 7.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.474 HD21 ' N ' ' A' ' 119' ' ' THR . 0.2 OUTLIER -113.99 -12.54 12.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' THR . . . . . 0.474 ' N ' HD21 ' A' ' 118' ' ' ASN . 7.8 t -173.3 148.13 1.6 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.38 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.52 ' CE2' HG22 ' A' ' 52' ' ' VAL . 58.8 m95 -70.11 -35.45 74.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 107.98 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . 0.423 ' C ' ' ND2' ' A' ' 73' ' ' ASN . . . 127.33 137.33 4.48 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 1.6 p -119.05 -173.47 2.5 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 119.87 170.22 14.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.483 1.115 . . . . 0.0 111.01 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 90.1 p -66.28 -56.83 9.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 110.023 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 24.0 m -84.97 122.5 29.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.031 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -139.75 154.28 47.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -160.19 128.56 4.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.411 ' OG1' ' NH1' ' A' ' 71' ' ' ARG . 13.6 m -123.38 155.91 36.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.393 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -150.63 158.23 43.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 13.7 tp -123.77 130.73 53.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.329 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.436 HG22 ' N ' ' A' ' 132' ' ' ASN . 29.8 mm -110.99 146.97 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . 0.436 ' N ' HG22 ' A' ' 131' ' ' ILE . 7.0 p30 -101.15 -171.19 1.95 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.253 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 132' ' ' ASN . 4.1 p -36.29 -55.43 0.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.001 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 136' ' ' GLU . 60.9 p -83.02 159.42 22.18 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.548 1.155 . . . . 0.0 110.386 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -68.55 59.4 0.46 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 134' ' ' THR . 13.6 tt0 -138.1 146.94 43.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 110.32 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.417 ' HG2' ' N ' ' A' ' 138' ' ' VAL . 2.6 tm-20 -88.24 144.11 26.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 37' ' ' SER . 2.8 m -111.74 -35.04 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -147.0 158.96 44.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -142.12 153.53 44.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . 0.438 ' CD ' ' CG1' ' A' ' 42' ' ' VAL . 10.1 ttt85 -140.26 95.7 2.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . 0.636 ' HB3' ' CD2' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -84.96 148.82 26.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.436 1.085 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -156.38 98.99 1.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 109.28 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.415 HG22 ' CE ' ' A' ' 142' ' ' LYS . 33.8 t -122.71 130.08 74.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.973 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.67 160.27 15.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 109.345 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.92 103.07 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.269 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -87.51 147.27 25.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.42 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 138' ' ' VAL . 30.1 m -156.31 81.89 0.98 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 109.998 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 161.14 -138.31 5.39 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.452 1.095 . . . . 0.0 110.961 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.411 ' CB ' ' HB3' ' A' ' 58' ' ' SER . 8.2 mtm180 -103.7 -36.23 7.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 0.74 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 63.5 t -95.1 157.02 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -144.71 137.43 26.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.469 ' CG1' ' HD2' ' A' ' 141' ' ' ARG . 60.9 t -65.73 86.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 42' ' ' VAL . 7.0 tm-20 -37.82 -65.05 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -162.47 133.21 4.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.406 HG23 ' CG1' ' A' ' 52' ' ' VAL . 7.9 t -122.16 116.59 49.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -59.06 112.64 1.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.449 ' HB2' ' CD1' ' A' ' 126' ' ' LEU . 6.5 pt-20 -59.22 -29.07 67.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -63.44 -22.57 66.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 110.301 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.57 69.21 1.4 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.09 -51.73 1.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 0.789 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.57 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 35.4 p90 -148.37 155.67 41.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.573 ' CG2' ' CE2' ' A' ' 120' ' ' TRP . 37.6 t -119.82 116.18 49.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.5 122.17 41.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.29 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.473 ' CD1' HD12 ' A' ' 69' ' ' ILE . 11.0 mt -121.08 128.76 52.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.407 ' NE ' ' HZ1' ' A' ' 57' ' ' LYS . 9.1 ttp180 -122.47 148.75 44.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 39.6 t-20 -92.68 150.23 20.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.407 ' HZ1' ' NE ' ' A' ' 55' ' ' ARG . 0.2 OUTLIER -114.23 -34.55 5.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.345 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.411 ' HB3' ' CB ' ' A' ' 39' ' ' ARG . 5.6 p -62.7 167.55 4.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 110.01 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.421 ' C ' ' CB ' ' A' ' 91' ' ' ALA . 1.0 OUTLIER -101.35 -11.61 19.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -96.57 119.28 34.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 110.306 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -40.89 123.77 2.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.488 ' NE2' ' H ' ' A' ' 63' ' ' SER . 57.1 tp60 -90.41 138.52 31.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.261 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.488 ' H ' ' NE2' ' A' ' 62' ' ' GLN . 15.9 m -103.57 114.81 29.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.996 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.507 ' HA ' ' CD1' ' A' ' 67' ' ' TRP . 9.1 mtp -105.96 45.11 0.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.528 ' O ' ' ND2' ' A' ' 66' ' ' ASN . . . -87.17 54.7 4.54 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.512 1.133 . . . . 0.0 111.039 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.528 ' ND2' ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER 154.9 -23.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 0.779 . . . . 0.0 109.289 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.507 ' CD1' ' HA ' ' A' ' 64' ' ' MET . 11.3 m0 -45.66 166.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 108.032 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -149.3 168.53 23.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.583 HD13 ' CZ ' ' A' ' 83' ' ' PHE . 2.2 mt -130.65 114.86 29.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 129' ' ' ALA . 55.6 mtt-85 -90.84 128.63 36.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.25 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.413 ' HB3' ' CG ' ' A' ' 79' ' ' MET . 0.1 OUTLIER -133.9 109.39 9.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -117.47 129.68 55.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.236 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.4 ' ND2' ' C ' ' A' ' 121' ' ' GLY . 1.2 m-20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.7 tp . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.413 ' CG ' ' HB3' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -119.09 146.69 44.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.581 1.176 . . . . 0.0 110.982 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 50.9 m -132.78 99.68 4.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.369 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -77.57 99.13 5.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 111.036 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -83.97 121.39 27.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.583 ' CZ ' HD13 ' A' ' 69' ' ' ILE . 28.9 m-85 -68.67 164.83 41.86 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.483 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.2 Cg_endo -75.07 145.1 30.81 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.429 1.752 . . . . 0.0 110.947 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.404 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.4 Cg_endo -74.98 34.69 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.532 1.806 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.483 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.0 OUTLIER -152.19 26.8 0.61 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -114.22 138.71 50.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.32 116.92 11.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.395 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 56.3 tp -89.61 98.84 12.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.563 1.164 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.48 167.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.352 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.421 ' CB ' ' C ' ' A' ' 59' ' ' ASN . . . -76.91 136.93 38.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.23 6.41 64.96 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.2 173.38 8.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 0.756 . . . . 0.0 110.286 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 11.9 p -143.31 157.88 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 1.1 p -145.07 140.42 22.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 112' ' ' LEU . 1.4 m -113.75 132.14 55.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.463 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 4.3 mp -117.05 83.6 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.634 ' CG ' ' CB ' ' A' ' 104' ' ' ALA . 42.4 m95 -70.36 164.31 24.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 108.034 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -109.31 136.93 47.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.5 t -39.62 -31.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.028 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 118' ' ' ASN . . . -97.1 59.3 1.16 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.466 1.103 . . . . 0.0 111.021 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -143.52 -47.39 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.788 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 109.96 9.54 24.2 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.634 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -65.21 -170.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 0.792 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -137.64 122.59 18.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.394 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.478 ' CE1' HD23 ' A' ' 112' ' ' LEU . 19.0 t60 -57.58 93.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.585 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 111' ' ' ASP . 0.5 OUTLIER -128.78 68.68 79.3 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 110.014 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.54 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.3 Cg_endo -74.94 169.66 22.12 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.54 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -75.02 -11.01 24.33 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 121.039 -2.484 . . . . 0.0 110.995 0.007 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 107' ' ' SER . 41.8 p -60.35 -90.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.396 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 107' ' ' SER . 18.9 m-20 -72.64 142.59 48.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.478 HD23 ' CE1' ' A' ' 106' ' ' HIS . 15.2 mt -138.88 165.4 27.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.408 HG21 ' N ' ' A' ' 106' ' ' HIS . 72.6 t -135.04 123.56 40.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.251 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.427 ' CD2' ' HB2' ' A' ' 117' ' ' GLN . 5.9 t90 -85.87 101.41 12.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 107.991 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.83 -39.77 29.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -52.24 -32.75 38.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.158 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.427 ' HB2' ' CD2' ' A' ' 114' ' ' TRP . 29.2 mm100 -119.62 169.7 9.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.422 ' O ' ' N ' ' A' ' 101' ' ' GLY . 0.4 OUTLIER -114.1 -26.71 7.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 10.0 t -152.45 146.15 25.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.16 . . . . 0.0 110.425 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.573 ' CE2' ' CG2' ' A' ' 52' ' ' VAL . 53.2 m95 -67.05 -15.13 63.53 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . 0.4 ' C ' ' ND2' ' A' ' 73' ' ' ASN . . . 106.4 161.01 22.36 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.458 1.099 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . 0.471 ' HA ' ' CD2' ' A' ' 126' ' ' LEU . 0.9 OUTLIER -161.88 176.58 10.68 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 125' ' ' SER . . . 138.45 44.06 0.08 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 68.18 -64.01 0.31 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 0.769 . . . . 0.0 109.952 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 123' ' ' GLY . 25.3 p -84.72 133.35 34.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.105 . . . . 0.0 110.013 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.471 ' CD2' ' HA ' ' A' ' 122' ' ' CYS . 0.5 OUTLIER -144.54 155.67 43.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -156.11 100.56 2.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.283 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 29.6 m -98.06 163.53 12.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.425 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -164.42 152.56 12.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 14.2 tp -117.85 130.54 56.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.447 ' CD1' ' HA ' ' A' ' 137' ' ' GLU . 19.2 mm -116.46 146.49 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . 0.409 ' ND2' ' O ' ' A' ' 136' ' ' GLU . 7.8 p30 -92.83 -171.7 2.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.423 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . 1.4 t -44.83 -41.7 7.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.052 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 136' ' ' GLU . 5.5 p -91.95 159.05 15.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.416 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -67.4 62.51 0.26 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.51 1.131 . . . . 0.0 111.031 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 134' ' ' THR . 18.2 tt0 -143.08 135.78 27.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 0.76 . . . . 0.0 110.33 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.447 ' HA ' ' CD1' ' A' ' 131' ' ' ILE . 4.0 tt0 -82.96 145.82 29.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 37' ' ' SER . 1.7 m -113.14 -35.32 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -144.08 157.88 44.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 17.3 ptm -142.84 143.74 32.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . 0.469 ' HD2' ' CG1' ' A' ' 42' ' ' VAL . 7.8 ttt85 -131.05 82.57 2.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . 0.437 ' HE2' ' CG2' ' A' ' 144' ' ' VAL . 32.1 tttt -78.82 147.68 33.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -149.97 116.66 5.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.437 ' CG2' ' HE2' ' A' ' 142' ' ' LYS . 32.3 t -122.22 124.35 70.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.949 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -101.29 157.09 17.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -151.59 112.61 4.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -86.1 147.52 26.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.435 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.2 OUTLIER -155.94 81.78 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.989 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 156.81 -134.96 4.23 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.143 . . . . 0.0 111.038 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.6 mtm-85 -105.53 -41.88 5.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 0.746 . . . . 0.0 110.292 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 89.6 t -93.16 147.41 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -134.26 139.5 45.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.269 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.449 ' CG1' ' HD2' ' A' ' 141' ' ' ARG . 44.9 t -66.89 87.46 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 42' ' ' VAL . 7.5 tp10 -37.67 -72.81 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 110.308 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -153.8 132.61 12.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.447 HG23 ' CG1' ' A' ' 52' ' ' VAL . 9.6 t -119.51 103.78 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -42.41 112.34 0.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.471 ' O ' ' CD1' ' A' ' 126' ' ' LEU . 5.0 pt-20 -58.44 -35.51 72.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.258 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -61.26 -25.06 66.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.289 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.09 71.53 1.3 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -127.17 -45.26 1.55 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 0.754 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.522 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 35.2 p90 -155.46 155.34 33.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 111.038 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.494 HG22 ' CE2' ' A' ' 120' ' ' TRP . 26.0 t -118.89 113.02 40.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.4 124.27 42.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.279 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.435 ' CD1' HD11 ' A' ' 69' ' ' ILE . 10.8 mt -120.11 133.75 55.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.56 147.43 49.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.439 ' OD1' ' N ' ' A' ' 57' ' ' LYS . 52.7 t-20 -90.55 147.97 23.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.439 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 4.7 mmtp -112.51 -33.45 6.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.326 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.5 t -61.57 165.65 4.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 110.013 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.462 ' C ' ' CB ' ' A' ' 91' ' ' ALA . 1.1 p-10 -97.0 -18.27 19.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -93.65 128.73 39.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 110.269 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.51 132.57 6.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 89' ' ' LEU . 36.1 tp60 -101.75 134.84 44.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.332 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.428 ' H ' ' NE2' ' A' ' 62' ' ' GLN . 48.0 t -99.33 126.3 45.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.099 . . . . 0.0 110.006 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.477 ' HA ' ' CD1' ' A' ' 67' ' ' TRP . 13.2 mtp -119.57 43.58 2.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.489 ' O ' ' ND2' ' A' ' 66' ' ' ASN . . . -85.13 54.65 4.91 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.505 1.128 . . . . 0.0 110.944 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER 157.51 -25.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 0.729 . . . . 0.0 109.261 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.477 ' CD1' ' HA ' ' A' ' 64' ' ' MET . 12.6 m0 -43.07 163.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 108.022 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -149.88 169.36 21.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.282 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.598 HD12 ' CZ ' ' A' ' 83' ' ' PHE . 11.5 mt -130.07 115.17 31.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 57.3 mtt-85 -86.31 131.1 34.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.323 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -126.92 104.65 8.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.316 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -123.65 93.51 3.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.6 p30 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.9 tp . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -105.52 134.31 48.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.6 m -115.38 94.16 4.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.368 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.561 ' CE2' HG21 ' A' ' 97' ' ' ILE . 63.6 t80 -74.23 95.2 2.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.5 ttt180 -80.27 121.2 25.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.598 ' CZ ' HD12 ' A' ' 69' ' ' ILE . 19.7 m-85 -66.33 166.7 15.66 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.505 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.4 Cg_endo -75.0 144.97 30.86 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.535 1.808 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.42 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.2 Cg_endo -75.03 25.79 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.499 1.789 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.505 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.0 OUTLIER -144.3 35.0 1.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.147 . . . . 0.0 109.317 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -120.57 130.87 54.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 111.01 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.21 108.0 9.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.373 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 62' ' ' GLN . 54.0 tp -82.21 94.71 7.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 89' ' ' LEU . 38.5 mtmt -47.44 173.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.462 ' CB ' ' C ' ' A' ' 59' ' ' ASN . . . -85.01 132.5 34.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.26 9.67 86.68 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.506 1.129 . . . . 0.0 110.953 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.424 ' NE2' ' O ' ' A' ' 91' ' ' ALA . 1.4 mp0 -94.95 175.16 6.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 0.748 . . . . 0.0 110.323 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.9 p -144.39 160.17 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.416 HG22 ' N ' ' A' ' 96' ' ' THR . 6.5 p -147.95 147.12 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 112' ' ' LEU . 9.2 m -120.66 131.95 54.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.469 1.105 . . . . 0.0 110.4 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.561 HG21 ' CE2' ' A' ' 81' ' ' TYR . 4.1 mp -117.48 81.98 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.522 ' CE3' ' HB3' ' A' ' 51' ' ' PHE . 37.4 m95 -66.94 166.62 13.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 107.975 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 100' ' ' SER . . . -111.22 142.94 42.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 99' ' ' ALA . 4.2 t -37.43 -59.04 0.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.987 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 118' ' ' ASN . . . -47.09 -48.77 19.41 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -41.79 -43.69 3.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 0.763 . . . . 0.0 109.281 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 76.19 23.84 70.26 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.534 1.146 . . . . 0.0 111.02 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.61 -159.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 0.786 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -126.95 116.94 21.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.388 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -58.83 111.57 1.33 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.625 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.482 ' CB ' ' HB2' ' A' ' 111' ' ' ASP . 0.4 OUTLIER -141.48 68.18 25.53 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.026 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.514 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.4 Cg_endo -75.01 169.16 23.24 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.525 1.802 . . . . 0.0 111.001 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.514 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.5 Cg_endo -74.95 -10.62 24.07 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 121.034 -2.486 . . . . 0.0 111.027 0.006 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 107' ' ' SER . 33.3 p -60.87 -88.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.373 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.482 ' HB2' ' CB ' ' A' ' 107' ' ' SER . 13.8 m-20 -67.39 144.38 55.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.33 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.475 ' CD2' ' HB3' ' A' ' 108' ' ' PRO . 26.7 mt -141.81 151.2 42.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 47.1 t -122.21 119.51 58.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.51 ' CD2' ' HB2' ' A' ' 117' ' ' GLN . 5.1 t90 -80.23 99.17 7.69 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.14 -43.88 18.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -45.64 -51.91 11.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.524 ' NE2' ' H ' ' A' ' 119' ' ' THR . 0.1 OUTLIER -90.67 176.4 6.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.403 ' O ' ' N ' ' A' ' 101' ' ' GLY . 3.5 p30 -116.01 -31.91 5.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' THR . . . . . 0.524 ' H ' ' NE2' ' A' ' 117' ' ' GLN . 13.1 t -160.44 128.51 4.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.379 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.494 ' CE2' HG22 ' A' ' 52' ' ' VAL . 54.3 m95 -45.55 -42.18 10.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 108.027 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 135.84 133.3 3.21 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.13 . . . . 0.0 111.049 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 4.0 p -113.41 -172.18 2.02 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 126.99 -156.65 20.34 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.2 p -108.62 -32.05 7.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 0.785 . . . . 0.0 110.029 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 32.9 p -113.15 119.44 37.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.98 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.471 ' CD1' ' O ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -135.52 150.61 49.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -150.45 108.4 3.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 110.33 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 5.7 m -108.49 141.7 39.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.418 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -137.66 145.27 42.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.458 HD21 ' CG2' ' A' ' 138' ' ' VAL . 14.9 tp -103.96 131.57 51.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.422 ' CD1' ' HA ' ' A' ' 137' ' ' GLU . 24.2 mm -117.3 146.28 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 133' ' ' SER . 9.9 p30 -97.71 -170.94 2.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 132' ' ' ASN . 0.4 OUTLIER -36.73 -59.64 0.66 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 136' ' ' GLU . 51.8 p -79.49 160.24 26.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -68.19 60.96 0.4 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.469 1.105 . . . . 0.0 110.963 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 134' ' ' THR . 15.0 tt0 -137.11 138.56 40.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 0.787 . . . . 0.0 110.29 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.422 ' HA ' ' CD1' ' A' ' 131' ' ' ILE . 4.0 tm-20 -84.54 142.98 29.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.458 ' CG2' HD21 ' A' ' 130' ' ' LEU . 2.9 m -112.81 -36.78 2.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -141.03 161.53 37.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 17.1 ptm -143.46 157.54 44.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . 0.449 ' HD2' ' CG1' ' A' ' 42' ' ' VAL . 4.8 ttm-85 -147.49 87.38 1.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.334 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 36.3 tttt -85.02 125.88 33.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -123.02 116.21 23.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 2.9 t -121.23 132.56 70.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 -179.996 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.481 ' CB ' ' NH1' ' A' ' 141' ' ' ARG . . . -102.47 166.36 10.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.33 108.97 1.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.27 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.99 147.76 26.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.384 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 138' ' ' VAL . 4.8 m -156.44 81.94 0.97 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.102 . . . . 0.0 109.986 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 157.08 -138.66 6.0 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.491 1.119 . . . . 0.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.455 ' CG ' ' HB3' ' A' ' 58' ' ' SER . 7.8 mtm180 -102.11 -39.08 7.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 0.77 . . . . 0.0 110.276 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 88.3 t -89.33 156.3 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.424 ' HB3' ' CG ' ' A' ' 57' ' ' LYS . . . -145.17 136.65 25.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.422 ' CG1' ' HD2' ' A' ' 141' ' ' ARG . 47.9 t -64.48 87.19 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -39.58 -59.61 1.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.285 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -170.88 135.46 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.475 HG23 ' CG1' ' A' ' 52' ' ' VAL . 10.5 t -122.12 116.95 50.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -50.73 108.09 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.48 ' O ' ' CD1' ' A' ' 126' ' ' LEU . 8.0 pt-20 -56.55 -31.23 63.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -67.03 -26.4 66.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.328 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.5 81.34 1.38 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -139.71 -49.93 0.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.573 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 49.5 p90 -148.31 157.71 43.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.591 ' CG2' ' CE2' ' A' ' 120' ' ' TRP . 52.4 t -120.16 109.42 25.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.73 126.46 36.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.257 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.471 ' CD1' HD11 ' A' ' 69' ' ' ILE . 33.3 mt -125.32 125.44 43.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.489 ' CG ' HG23 ' A' ' 94' ' ' VAL . 25.7 ttp180 -119.83 146.54 45.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -89.63 145.89 24.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.424 ' CG ' ' HB3' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -107.85 -34.96 6.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.455 ' HB3' ' CG ' ' A' ' 39' ' ' ARG . 84.0 p -61.55 165.65 4.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 110.007 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -103.81 13.14 33.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -125.13 131.74 53.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -47.3 119.97 2.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 50.5 tp60 -94.28 114.2 26.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.343 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 89.8 p -71.34 121.77 19.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.019 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 43.8 mtp -115.14 46.03 1.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.465 ' O ' ' ND2' ' A' ' 66' ' ' ASN . . . -91.81 55.35 3.0 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.479 1.112 . . . . 0.0 110.967 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.465 ' ND2' ' O ' ' A' ' 65' ' ' GLY . 0.3 OUTLIER 159.46 -28.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 0.787 . . . . 0.0 109.275 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 11.2 m0 -43.98 161.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 108.029 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -146.05 169.91 17.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.575 HD12 ' CZ ' ' A' ' 83' ' ' PHE . 4.7 mt -129.7 115.84 35.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 38.6 mtt-85 -89.6 139.56 30.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.421 ' NH1' ' HB3' ' A' ' 120' ' ' TRP . 0.4 OUTLIER -140.33 102.03 4.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 110.296 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -114.46 105.92 13.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.16 . . . . 0.0 110.263 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.42 ' OD1' ' NE ' ' A' ' 71' ' ' ARG . 41.4 m-20 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.7 tp . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -112.16 155.86 23.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 17.8 m -140.64 98.59 3.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 110.425 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -77.33 98.76 5.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.967 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.4 ttp85 -83.47 113.76 21.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.575 ' CZ ' HD12 ' A' ' 69' ' ' ILE . 37.5 m-85 -59.07 164.74 4.16 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.504 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.3 Cg_endo -75.0 145.89 31.99 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.493 1.786 . . . . 0.0 110.993 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.434 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.3 Cg_endo -75.02 25.45 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.478 1.778 . . . . 0.0 111.023 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.504 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.7 OUTLIER -144.18 38.76 1.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -128.45 135.12 49.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -134.6 111.13 9.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 90' ' ' LYS . 33.7 tp -81.93 96.8 7.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 89' ' ' LEU . 1.0 OUTLIER -47.82 173.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.403 ' O ' ' NE2' ' A' ' 93' ' ' GLN . . . -81.22 139.77 35.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 67.54 7.99 49.57 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.403 ' NE2' ' O ' ' A' ' 91' ' ' ALA . 0.4 OUTLIER -87.65 175.6 7.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 0.76 . . . . 0.0 110.289 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.489 HG23 ' CG ' ' A' ' 55' ' ' ARG . 19.6 t -147.59 145.76 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.6 p -133.57 138.39 51.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 112' ' ' LEU . 2.0 m -111.67 126.22 54.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 110.414 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 4.8 mp -111.64 85.84 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.573 ' CE3' ' HB3' ' A' ' 51' ' ' PHE . 53.0 m95 -71.22 165.9 22.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 107.996 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 100' ' ' SER . . . -106.69 141.17 38.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.103 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 99' ' ' ALA . 4.4 t -37.09 -46.2 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.002 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -99.98 75.13 0.46 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.518 1.136 . . . . 0.0 111.033 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 103' ' ' GLY . . . -161.08 27.96 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 0.746 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 102' ' ' ALA . . . 35.04 52.32 0.87 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.482 1.114 . . . . 0.0 110.97 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.541 ' HB2' ' CG ' ' A' ' 98' ' ' TRP . . . -99.81 -158.47 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 0.79 . . . . 0.0 109.353 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.3 m -158.42 122.1 3.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.43 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.505 ' NE2' ' HG3' ' A' ' 108' ' ' PRO . 21.3 t60 -62.81 94.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.157 . . . . 0.0 109.626 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.04 65.5 75.53 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.032 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.554 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.3 Cg_endo -74.99 170.55 20.18 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.531 1.806 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.554 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -75.01 -13.05 23.86 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 120.998 -2.501 . . . . 0.0 110.979 -0.004 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 71.7 p -57.0 -85.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.41 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -79.05 145.01 34.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.492 ' CD2' ' HB3' ' A' ' 108' ' ' PRO . 16.1 mt -139.28 161.86 36.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 54.6 t -128.17 121.6 56.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.522 ' CE2' ' HB2' ' A' ' 117' ' ' GLN . 6.5 t90 -81.55 100.29 9.29 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -79.67 -42.28 25.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -45.88 -53.46 9.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.522 ' HB2' ' CE2' ' A' ' 114' ' ' TRP . 0.1 OUTLIER -97.55 175.86 6.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.431 ' HA ' ' HB3' ' A' ' 100' ' ' SER . 4.1 p30 -113.2 -24.45 9.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' THR . . . . . 0.439 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 14.9 t -162.34 149.29 13.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.374 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.591 ' CE2' ' CG2' ' A' ' 52' ' ' VAL . 60.7 m95 -66.0 -33.25 75.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 107.972 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 126.05 138.67 4.93 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 8.9 p -122.64 -170.78 2.15 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 132.72 -121.03 2.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 58.2 p -137.71 -50.24 0.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 110.007 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 71.0 m -107.73 110.27 22.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.018 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.48 ' CD1' ' O ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -122.7 155.42 36.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.257 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -143.89 116.75 8.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 110.332 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 15.3 m -108.09 151.61 25.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.103 . . . . 0.0 110.411 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -150.33 152.09 33.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.364 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.452 HD21 ' CG2' ' A' ' 138' ' ' VAL . 14.0 tp -118.69 130.42 55.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 19.0 mm -111.9 146.77 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . 0.456 ' H ' ' ND2' ' A' ' 132' ' ' ASN . 0.7 OUTLIER -100.88 -175.11 2.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 132' ' ' ASN . 1.1 p -34.12 -53.27 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.007 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 136' ' ' GLU . 43.0 p -85.22 158.72 20.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.431 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -67.83 61.99 0.33 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.549 1.156 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . 0.449 ' O ' ' ND2' ' A' ' 132' ' ' ASN . 16.7 tt0 -139.07 147.48 42.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 0.789 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.419 ' HG2' ' N ' ' A' ' 138' ' ' VAL . 1.1 tt0 -91.0 141.37 28.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.33 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.472 ' O ' ' N ' ' A' ' 37' ' ' SER . 1.9 m -108.95 -34.79 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.274 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -150.83 157.56 43.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 14.5 ptm -144.26 150.48 37.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . 0.481 ' NH1' ' CB ' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -134.94 97.5 3.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 39.8 tttt -92.66 120.81 33.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.352 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -115.02 109.27 17.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 3.0 t -111.11 125.71 68.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.323 179.955 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.622 ' CE1' ' CG ' ' A' ' 142' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.483 ' CB ' ' HA ' ' A' ' 141' ' ' ARG . . . -109.24 158.68 17.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.087 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.22 110.04 4.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.58 147.55 23.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 110.379 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 138' ' ' VAL . 4.9 m -156.0 82.27 1.01 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.138 . . . . 0.0 110.01 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 162.34 -142.04 7.66 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.517 1.136 . . . . 0.0 110.99 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.477 ' CB ' ' HB2' ' A' ' 58' ' ' SER . 9.8 mtm180 -99.01 -34.07 10.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.778 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.443 ' CG1' ' N ' ' A' ' 41' ' ' ALA . 96.4 t -97.43 167.71 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.443 ' N ' ' CG1' ' A' ' 40' ' ' VAL . . . -152.22 142.09 22.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 43' ' ' GLU . 58.8 t -68.99 86.52 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 42' ' ' VAL . 0.1 OUTLIER -38.79 -66.23 0.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.34 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -161.78 129.71 4.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.2 t -116.52 104.76 17.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -43.61 113.22 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.262 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.453 ' O ' ' CD1' ' A' ' 126' ' ' LEU . 5.0 pt-20 -56.32 -36.93 69.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.3 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -58.37 -23.02 55.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.49 62.87 1.83 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.531 1.144 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.1 mtmm -117.52 -49.67 2.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 0.745 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.479 ' CB ' ' HA ' ' A' ' 98' ' ' TRP . 44.7 p90 -148.6 158.72 44.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.523 HG21 ' CE2' ' A' ' 120' ' ' TRP . 24.6 t -121.05 113.72 40.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -96.45 123.19 40.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 0.0 110.277 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.463 ' CD1' HD13 ' A' ' 69' ' ' ILE . 23.4 mt -117.51 127.67 54.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.4 ' CB ' ' HB2' ' A' ' 43' ' ' GLU . 27.2 ttp180 -118.45 148.97 42.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 58' ' ' SER . 41.2 t-20 -96.57 133.93 40.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -104.33 -27.52 11.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.344 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.477 ' HB2' ' CB ' ' A' ' 39' ' ' ARG . 13.1 t -64.33 163.26 13.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.972 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.427 ' C ' ' CB ' ' A' ' 91' ' ' ALA . 4.6 t30 -96.16 -19.13 19.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.419 ' CG ' ' HD3' ' A' ' 39' ' ' ARG . 2.2 pt-20 -96.56 123.24 40.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -40.08 128.78 2.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 89' ' ' LEU . 39.1 tp60 -96.12 124.27 40.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.327 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.414 ' N ' ' NE2' ' A' ' 62' ' ' GLN . 2.4 m -89.59 110.03 20.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 15.1 mtp -105.02 41.67 1.31 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.464 1.103 . . . . 0.0 111.005 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.54 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -83.56 58.89 5.01 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.54 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 1.2 m120 153.54 -27.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 0.0 109.318 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.533 ' CG ' ' HA ' ' A' ' 132' ' ' ASN . 18.6 m0 -42.42 161.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 108.014 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -141.24 173.86 11.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.326 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.613 ' CD1' ' CE2' ' A' ' 83' ' ' PHE . 7.5 mt -134.66 117.58 23.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.447 ' HG3' ' CG1' ' A' ' 131' ' ' ILE . 35.0 mtt-85 -88.98 145.51 25.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.259 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.438 ' NH1' ' OG1' ' A' ' 128' ' ' THR . 0.1 OUTLIER -146.37 110.03 4.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.444 ' CG ' ' HG ' ' A' ' 78' ' ' LEU . 5.1 tm0? -124.79 104.58 8.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.122 . . . . 0.0 110.31 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.444 ' HG ' ' CG ' ' A' ' 72' ' ' GLN . 1.4 tt . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -121.7 155.96 34.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 91.3 m -140.84 103.32 4.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.405 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.403 ' HD2' ' CD1' ' A' ' 114' ' ' TRP . 39.2 t80 -82.12 104.58 12.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 34.8 ttp85 -86.73 121.48 29.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.267 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.613 ' CE2' ' CD1' ' A' ' 69' ' ' ILE . 29.1 m-85 -67.31 166.23 22.56 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 111.043 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.498 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.2 Cg_endo -75.02 145.41 31.34 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.485 1.782 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 29.3 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.55 1.816 . . . . 0.0 111.008 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.498 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.0 OUTLIER -148.59 38.26 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -127.63 129.5 47.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.976 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.1 m -129.76 114.3 15.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.38 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 62' ' ' GLN . 54.9 tp -85.98 95.32 9.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.137 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -47.31 166.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.441 ' O ' ' NE2' ' A' ' 93' ' ' GLN . . . -78.6 134.02 37.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 78.31 4.56 86.97 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 91' ' ' ALA . 0.8 OUTLIER -89.51 176.02 7.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 0.766 . . . . 0.0 110.254 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 13.1 p -144.27 158.97 15.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.418 HG22 ' N ' ' A' ' 96' ' ' THR . 12.9 p -146.93 151.2 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.349 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 112' ' ' LEU . 21.0 m -126.54 126.71 44.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 110.433 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 4.1 mp -113.4 82.92 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.603 ' CG ' ' CB ' ' A' ' 104' ' ' ALA . 42.0 m95 -66.39 162.17 21.0 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.442 ' HB2' ' CD1' ' A' ' 120' ' ' TRP . . . -104.73 141.08 37.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 99' ' ' ALA . 3.8 t -37.67 -56.6 1.04 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.983 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 118' ' ' ASN . . . -42.15 -59.97 2.81 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.03 152.65 2.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 0.79 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -89.12 39.47 3.12 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.475 1.109 . . . . 0.0 111.034 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.603 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -70.07 173.48 6.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 0.794 . . . . 0.0 109.245 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -126.44 115.92 20.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.378 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -54.63 110.26 0.62 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.123 . . . . 0.0 109.578 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.48 ' CB ' ' HB2' ' A' ' 111' ' ' ASP . 0.4 OUTLIER -143.06 68.86 18.09 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.522 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.3 Cg_endo -74.98 169.13 23.31 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.552 1.817 . . . . 0.0 110.964 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.522 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -75.03 -12.95 23.96 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 120.983 -2.507 . . . . 0.0 111.019 -0.002 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.512 ' OG1' ' N ' ' A' ' 111' ' ' ASP . 44.3 p -58.06 -82.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.408 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.512 ' N ' ' OG1' ' A' ' 110' ' ' THR . 74.3 m-20 -73.7 148.78 42.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.484 ' CD2' ' HB3' ' A' ' 108' ' ' PRO . 44.9 mt -145.72 151.36 37.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 57.3 t -123.95 121.43 62.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.515 ' CE2' ' HB2' ' A' ' 117' ' ' GLN . 7.8 t90 -82.77 97.53 8.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 108.02 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.4 mtpp -78.46 -44.43 24.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -40.57 -55.57 2.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.515 ' HB2' ' CE2' ' A' ' 114' ' ' TRP . 0.7 OUTLIER -92.01 175.87 6.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 101' ' ' GLY . 3.8 p30 -114.41 -26.37 7.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' THR . . . . . 0.447 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 14.6 t -161.72 129.47 4.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.434 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.523 ' CE2' HG21 ' A' ' 52' ' ' VAL . 50.5 m95 -47.04 -45.6 21.55 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 132.99 143.59 5.06 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 2.6 p -119.34 -172.98 2.42 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 127.42 143.59 5.78 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 145' ' ' ARG . 14.0 p -45.07 -33.33 2.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 0.743 . . . . 0.0 110.01 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.6 m -120.19 131.45 55.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.942 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.453 ' CD1' ' O ' ' A' ' 47' ' ' GLU . 0.4 OUTLIER -132.53 148.38 52.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 3.5 ttt-85 -136.4 107.67 6.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.288 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.438 ' OG1' ' NH1' ' A' ' 71' ' ' ARG . 29.7 m -113.88 144.94 42.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.391 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -142.58 158.51 43.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.118 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 13.6 tp -121.72 129.1 52.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.447 ' CG1' ' HG3' ' A' ' 70' ' ' ARG . 24.5 mm -110.38 148.79 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . 0.533 ' HA ' ' CG ' ' A' ' 67' ' ' TRP . 6.2 p30 -100.81 -173.33 2.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.49 ' N ' ' CD1' ' A' ' 67' ' ' TRP . 6.4 p -37.72 -46.38 0.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 109.98 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 136' ' ' GLU . 60.3 p -90.75 159.25 16.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 110.376 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -68.75 60.4 0.49 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.517 1.135 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . 0.465 ' O ' ' ND2' ' A' ' 132' ' ' ASN . 6.2 tt0 -140.96 139.49 34.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -80.57 140.53 35.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 110.251 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 37' ' ' SER . 2.5 m -111.81 -30.11 2.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.25 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -150.29 160.47 43.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 25.3 ptm -147.8 155.08 41.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . 0.483 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 30.3 ttm-85 -143.09 106.84 4.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . 0.622 ' CG ' ' CE1' ' A' ' 33' ' ' HIS . 17.5 tttt -98.59 133.56 42.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -127.8 105.87 8.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.532 ' CG2' ' NE2' ' A' ' 33' ' ' HIS . 23.4 t -113.56 136.94 48.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 124' ' ' SER . 71.6 ttt180 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 46.6 m-70 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.473 ' CB ' ' HA ' ' A' ' 141' ' ' ARG . . . -102.18 160.19 14.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.53 108.34 2.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.359 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.3 149.34 26.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.393 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.5 OUTLIER -156.17 82.22 0.99 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 110.005 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 158.63 -140.41 6.91 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.456 ' CB ' ' HB3' ' A' ' 58' ' ' SER . 9.7 mtm180 -98.77 -39.42 8.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 0.787 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.452 ' CG2' ' HG2' ' A' ' 62' ' ' GLN . 83.0 t -89.71 165.84 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.433 ' N ' ' CG1' ' A' ' 40' ' ' VAL . . . -152.45 132.6 13.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.428 ' CG1' ' HD2' ' A' ' 141' ' ' ARG . 92.1 t -61.14 89.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -42.72 -71.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 45' ' ' VAL . 1.4 tp10 -156.68 138.07 13.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.401 ' N ' ' HG3' ' A' ' 44' ' ' GLU . 4.9 t -125.33 122.29 62.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.407 ' OD2' ' CE2' ' A' ' 51' ' ' PHE . 1.6 t0 -56.01 112.04 1.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -57.31 -21.76 37.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 110.305 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -73.94 -27.05 60.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.335 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.11 61.58 1.48 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.6 mtpt -119.07 -44.21 2.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.0 109.271 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.626 ' CD2' ' CZ3' ' A' ' 98' ' ' TRP . 28.6 p90 -151.29 160.42 43.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.8 t -124.04 113.83 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.422 1.076 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.36 122.75 40.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.1 mt -121.4 130.52 53.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.103 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -121.71 148.48 44.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 -91.51 141.38 28.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -108.18 -29.12 9.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.456 ' HB3' ' CB ' ' A' ' 39' ' ' ARG . 93.6 p -64.96 152.27 43.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -87.44 -12.29 46.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.345 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -99.28 131.9 44.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -43.96 133.76 4.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.573 ' NE2' ' CZ2' ' A' ' 67' ' ' TRP . 47.9 tp60 -106.24 120.75 42.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.7 p -90.49 118.99 30.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.0 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.485 ' HA ' ' CD1' ' A' ' 67' ' ' TRP . 14.4 mtp -109.63 45.89 1.05 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.139 . . . . 0.0 110.959 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.521 ' O ' ' ND2' ' A' ' 66' ' ' ASN . . . -86.7 56.75 4.69 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.521 ' ND2' ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER 154.54 -23.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 109.319 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.573 ' CZ2' ' NE2' ' A' ' 62' ' ' GLN . 12.3 m0 -44.79 165.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -149.51 172.5 14.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.351 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.562 HD12 ' CZ ' ' A' ' 83' ' ' PHE . 9.0 mt -131.86 120.96 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' ' 129' ' ' ALA . 2.1 mtt-85 -97.37 119.98 36.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.329 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.498 ' CZ ' ' O ' ' A' ' 120' ' ' TRP . 15.7 tpt180 -126.6 118.29 24.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.6 tm0? -133.0 120.03 20.84 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.7 p30 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.157 . . . . 0.0 109.349 179.955 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.3 tp . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.415 ' CG ' ' HB3' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -108.8 148.13 31.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 110.973 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 14.2 m -132.54 104.97 6.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.379 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.401 ' O ' ' CD2' ' A' ' 81' ' ' TYR . 46.5 t80 -87.71 99.97 12.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 111.038 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.2 ttp-105 -82.26 120.97 26.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.562 ' CZ ' HD12 ' A' ' 69' ' ' ILE . 22.9 m-85 -65.14 166.8 11.62 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.969 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 149.03 36.09 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.481 1.78 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.413 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.2 Cg_endo -74.98 4.13 5.0 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.479 1.779 . . . . 0.0 110.967 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.12 48.76 2.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -129.12 134.81 48.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.9 m -134.79 106.7 7.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.447 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.403 ' HB2' ' SD ' ' A' ' 64' ' ' MET . 55.8 tp -85.92 93.6 8.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -44.87 166.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.263 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.446 ' O ' ' NE2' ' A' ' 93' ' ' GLN . . . -78.49 134.25 37.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.73 6.79 87.21 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.491 1.119 . . . . 0.0 111.045 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' A' ' 91' ' ' ALA . 1.1 mp0 -92.59 169.78 10.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.415 HG21 ' N ' ' A' ' 95' ' ' VAL . 12.5 p -140.32 158.42 25.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.415 ' N ' HG21 ' A' ' 94' ' ' VAL . 2.5 p -147.66 145.23 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 13.7 m -118.36 127.54 53.78 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.108 . . . . 0.0 110.39 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 4.1 mp -110.66 84.99 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.626 ' CZ3' ' CD2' ' A' ' 51' ' ' PHE . 27.0 m95 -71.89 165.22 24.59 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 101' ' ' GLY . . . -105.48 142.18 35.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 99' ' ' ALA . 13.4 t -38.47 -30.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.001 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 99' ' ' ALA . . . -112.22 65.27 0.26 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -147.91 23.92 1.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.775 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 39.6 38.4 1.03 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.141 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.461 ' CB ' ' CB ' ' A' ' 98' ' ' TRP . . . -91.74 -161.45 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.757 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -154.03 123.13 6.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.406 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.506 ' NE2' ' HG3' ' A' ' 108' ' ' PRO . 20.3 t60 -60.76 96.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.62 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.447 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 0.5 OUTLIER -133.83 62.48 58.31 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.014 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.561 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.4 Cg_endo -75.0 170.77 19.7 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.533 1.807 . . . . 0.0 110.999 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.561 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.2 Cg_endo -75.03 -14.38 23.19 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 121.001 -2.5 . . . . 0.0 110.983 0.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 107' ' ' SER . 62.1 p -53.64 -71.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.394 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 108' ' ' PRO . 3.2 m-20 -96.57 148.5 22.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.54 ' CD2' ' HB3' ' A' ' 108' ' ' PRO . 14.7 mt -142.0 157.82 44.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.42 HG23 ' N ' ' A' ' 106' ' ' HIS . 57.0 t -127.6 125.79 66.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.517 ' CE2' ' HB2' ' A' ' 117' ' ' GLN . 6.1 t90 -82.86 102.15 11.45 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -78.78 -38.12 39.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.245 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -53.33 -49.56 66.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.517 ' HB2' ' CE2' ' A' ' 114' ' ' TRP . 0.8 OUTLIER -106.86 175.38 5.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.27 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -136.72 17.4 3.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 5.9 t -175.76 144.53 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.396 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.498 ' O ' ' CZ ' ' A' ' 71' ' ' ARG . 52.4 m95 -92.25 19.03 7.41 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . 0.462 ' O ' ' NH2' ' A' ' 71' ' ' ARG . . . 70.27 128.67 0.06 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.132 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 26.2 p -112.62 -166.03 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 123.16 161.53 11.22 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.453 1.095 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.3 p -63.61 -22.85 67.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.74 . . . . 0.0 110.025 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 68.6 p -118.55 129.0 55.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.033 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -139.87 147.82 41.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.405 ' HB2' ' NH1' ' A' ' 127' ' ' ARG . 18.8 ttm105 -148.57 97.99 2.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.419 ' OG1' ' HD3' ' A' ' 71' ' ' ARG . 3.3 m -91.97 157.14 16.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.08 . . . . 0.0 110.402 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -156.58 153.27 28.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 13.8 tp -120.75 131.6 54.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.407 ' CD1' ' HA ' ' A' ' 137' ' ' GLU . 23.5 mm -113.58 147.94 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 136' ' ' GLU . 7.9 p30 -98.66 -168.25 1.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.43 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . 0.1 OUTLIER -38.23 -59.6 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.023 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 136' ' ' GLU . 5.7 t -81.47 160.84 23.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 110.395 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -67.82 63.94 0.32 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.559 1.162 . . . . 0.0 111.039 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . 0.445 ' O ' ' ND2' ' A' ' 132' ' ' ASN . 17.0 tt0 -141.94 134.35 28.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 0.761 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.424 ' HG2' ' N ' ' A' ' 138' ' ' VAL . 10.8 tt0 -76.81 143.57 39.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.571 1.169 . . . . 0.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 37' ' ' SER . 1.1 m -114.05 -33.96 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -144.65 157.29 44.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 13.7 ptm -140.43 154.34 46.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . 0.473 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 18.0 ttm-85 -139.81 89.18 2.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 48.6 tttt -79.48 145.05 33.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 109.26 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.412 ' CD1' ' HG2' ' A' ' 141' ' ' ARG . 0.2 OUTLIER -150.09 118.29 6.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 5.0 t -126.83 124.05 64.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 48.7 ttt85 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 110.282 -179.984 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 39.0 m-70 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -89.96 163.16 15.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.0 100.81 0.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.34 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.89 148.66 26.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 110.396 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.9 OUTLIER -156.03 81.94 1.0 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.015 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.68 -128.44 2.0 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.431 1.082 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.2 mtm-85 -114.61 -37.41 4.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 110.32 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.455 ' CG2' ' OE1' ' A' ' 62' ' ' GLN . 40.7 t -92.79 146.98 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.445 ' N ' HG11 ' A' ' 40' ' ' VAL . . . -135.02 136.4 42.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.252 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.406 ' CG1' HG21 ' A' ' 45' ' ' VAL . 30.7 t -64.19 90.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.76 -69.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 110.308 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -156.02 127.63 7.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.468 HG23 ' CG1' ' A' ' 52' ' ' VAL . 9.1 t -117.36 110.16 30.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -50.53 112.41 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.335 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -59.96 -36.87 78.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.276 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -57.74 -23.86 54.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.285 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 85.04 67.04 1.42 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -123.77 -45.09 2.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 0.795 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.558 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 45.7 p90 -156.34 156.95 34.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.554 ' CG2' ' CE2' ' A' ' 120' ' ' TRP . 24.4 t -120.06 115.98 49.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.353 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.71 122.83 44.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.488 ' CD1' HD12 ' A' ' 69' ' ' ILE . 4.4 mt -120.5 136.29 54.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -127.65 147.69 50.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.267 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.442 ' OD1' ' N ' ' A' ' 57' ' ' LYS . 54.2 t-20 -89.43 143.66 26.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.09 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.442 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 3.1 mmtp -108.53 -28.83 9.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 72.3 p -61.26 174.1 0.75 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.96 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.478 ' C ' ' CB ' ' A' ' 91' ' ' ALA . 1.6 p30 -103.0 -18.68 14.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -103.67 137.02 42.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.332 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.37 134.81 6.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.65 ' NE2' ' CZ2' ' A' ' 67' ' ' TRP . 0.9 OUTLIER -95.3 126.91 40.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.464 ' N ' HE21 ' A' ' 62' ' ' GLN . 0.7 OUTLIER -88.67 92.12 9.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.997 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.579 ' HA ' ' CD1' ' A' ' 67' ' ' TRP . 4.9 mtp -88.63 53.19 2.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -89.77 115.79 4.62 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.5 OUTLIER 82.19 6.25 1.04 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 0.763 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.65 ' CZ2' ' NE2' ' A' ' 62' ' ' GLN . 11.3 m0 -67.96 169.35 10.12 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 131' ' ' ILE . 8.8 mt-30 -152.52 166.45 31.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.507 ' CD1' ' CE2' ' A' ' 83' ' ' PHE . 1.2 mt -132.95 107.4 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 129' ' ' ALA . 3.9 mtt-85 -75.5 146.53 40.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.369 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.408 ' CZ ' ' HB3' ' A' ' 120' ' ' TRP . 4.3 tpt180 -144.49 89.55 2.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.357 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.7 tm0? -97.91 107.31 19.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 0.0 110.296 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.1 tp . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -105.49 159.0 16.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.961 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.9 m -144.12 94.62 2.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.401 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.426 ' CD1' HD13 ' A' ' 69' ' ' ILE . 58.4 t80 -67.09 99.02 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.5 124.07 29.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.267 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.507 ' CE2' ' CD1' ' A' ' 69' ' ' ILE . 25.7 m-85 -75.61 168.68 25.57 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.442 ' HD2' ' HB3' ' A' ' 83' ' ' PHE . 18.4 Cg_endo -74.96 163.72 34.84 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.541 1.811 . . . . 0.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 0.37 8.98 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.506 1.793 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.07 68.62 1.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -129.41 90.71 3.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.88 113.74 25.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.37 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 53.6 tp -94.35 95.77 9.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -41.06 160.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.251 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.478 ' CB ' ' C ' ' A' ' 59' ' ' ASN . . . -76.15 135.64 39.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.96 7.74 81.83 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -92.59 171.69 8.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 110.272 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.9 p -137.98 160.01 33.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.3 p -145.99 136.9 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.509 HG22 ' CE2' ' A' ' 98' ' ' TRP . 33.3 m -111.54 131.05 55.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.378 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.4 HD13 ' N ' ' A' ' 97' ' ' ILE . 4.4 mp -116.32 82.07 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.649 ' CG ' ' CB ' ' A' ' 104' ' ' ALA . 47.0 m95 -67.16 162.42 22.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 107.989 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 100' ' ' SER . . . -107.48 142.67 36.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 99' ' ' ALA . 5.3 t -38.79 -45.95 1.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.98 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -49.04 -59.21 7.06 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.77 162.26 1.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 0.757 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -97.88 48.9 1.44 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.649 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -83.12 -172.66 4.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 0.742 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.27 125.78 19.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.411 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.487 ' NE2' ' HG3' ' A' ' 108' ' ' PRO . 19.8 t60 -59.6 94.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.578 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.76 68.58 79.07 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.533 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.4 Cg_endo -74.98 169.31 22.91 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.481 1.78 . . . . 0.0 111.03 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.533 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -75.04 -17.22 20.34 Favored 'Cis proline' 0 C--N 1.361 1.186 0 C-N-CA 120.946 -2.523 . . . . 0.0 110.98 0.053 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 40.7 p -55.38 -88.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.437 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -72.12 147.68 46.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.446 ' CD2' ' HB3' ' A' ' 108' ' ' PRO . 16.9 mt -144.4 165.16 28.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 72.0 t -135.09 123.75 40.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.472 ' CD2' ' HB2' ' A' ' 117' ' ' GLN . 5.1 t90 -85.33 93.05 8.62 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -77.89 -37.6 47.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -52.3 -43.18 64.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.472 ' HB2' ' CD2' ' A' ' 114' ' ' TRP . 1.2 mm100 -105.26 175.01 5.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 110.274 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -114.91 -16.08 11.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 8.9 t -174.47 144.79 0.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.411 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.554 ' CE2' ' CG2' ' A' ' 52' ' ' VAL . 77.5 m95 -60.25 -17.96 45.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 107.988 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 103.54 163.02 25.26 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . 0.483 ' HA ' ' CD2' ' A' ' 126' ' ' LEU . 1.2 p -159.07 -178.64 7.37 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 125' ' ' SER . . . 131.63 42.72 0.18 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.53 1.144 . . . . 0.0 110.944 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' SER . . . . . 0.452 ' CB ' ' HB3' ' A' ' 145' ' ' ARG . 0.1 OUTLIER 67.6 -65.93 0.22 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 0.764 . . . . 0.0 110.049 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 123' ' ' GLY . 22.4 p -76.42 122.84 25.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.997 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.483 ' CD2' ' HA ' ' A' ' 122' ' ' CYS . 0.7 OUTLIER -140.78 146.62 37.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 39.9 ttt180 -148.86 96.28 2.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.28 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 52.1 m -95.46 153.41 17.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 110.399 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 70' ' ' ARG . . . -158.85 156.35 29.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . 0.425 ' O ' ' HA ' ' A' ' 137' ' ' GLU . 13.3 tp -116.88 127.98 54.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.474 ' O ' ' N ' ' A' ' 68' ' ' GLN . 18.0 mm -115.92 113.52 43.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . 0.494 ' H ' ' ND2' ' A' ' 132' ' ' ASN . 0.9 OUTLIER -63.29 178.55 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 132' ' ' ASN . 0.0 OUTLIER -35.88 -50.0 0.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.965 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 136' ' ' GLU . 10.7 p -83.52 159.8 21.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 110.399 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -68.42 60.02 0.44 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.473 1.108 . . . . 0.0 110.957 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . 0.452 ' O ' ' ND2' ' A' ' 132' ' ' ASN . 20.1 tt0 -137.65 142.11 41.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.761 . . . . 0.0 110.257 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.425 ' HA ' ' O ' ' A' ' 130' ' ' LEU . 6.8 tt0 -90.71 140.03 30.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.259 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' ' 37' ' ' SER . 2.9 m -109.04 -39.74 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.36 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -143.59 159.53 42.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 15.0 ptm -145.66 140.13 27.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.981 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 18.5 ttt85 -126.42 89.98 3.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -82.14 150.19 27.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -157.0 116.82 3.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 12.2 t -126.88 127.02 69.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . 0.452 ' HB3' ' CB ' ' A' ' 124' ' ' SER . 71.5 ttt180 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.302 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.624 ' CD2' ' HB3' ' A' ' 142' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.494 ' CB ' ' HA ' ' A' ' 141' ' ' ARG . . . -129.7 163.8 25.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -143.81 112.45 6.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 110.285 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -92.51 147.51 22.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.424 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.4 OUTLIER -155.68 81.76 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.038 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.9 -144.21 9.87 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.8 mtm-85 -97.75 -36.6 10.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 0.736 . . . . 0.0 110.333 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 95.5 t -95.39 160.34 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.424 ' HB2' ' NZ ' ' A' ' 57' ' ' LYS . . . -147.33 153.4 39.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.6 t -78.74 88.56 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.22 -60.96 0.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.332 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -168.17 133.48 1.82 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.466 HG23 ' CG1' ' A' ' 52' ' ' VAL . 7.1 t -120.13 109.73 26.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -44.71 115.1 0.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.402 ' HB3' ' CD1' ' A' ' 143' ' ' LEU . 6.2 pt-20 -58.86 -35.79 73.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 110.302 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.99 -28.43 67.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.05 67.04 1.26 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.525 1.141 . . . . 0.0 111.01 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.467 ' HD2' ' CB ' ' A' ' 102' ' ' ALA . 0.1 OUTLIER -123.04 -52.25 1.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 0.808 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.573 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 27.5 p90 -144.13 156.71 44.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.466 ' CG1' HG23 ' A' ' 45' ' ' VAL . 44.8 t -118.24 114.61 45.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.16 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -97.27 128.22 43.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.247 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.401 HD12 ' CD1' ' A' ' 97' ' ' ILE . 6.6 mt -126.33 131.14 51.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -120.69 147.85 44.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.297 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -98.47 109.88 22.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.472 ' N ' ' HD2' ' A' ' 57' ' ' LYS . 0.8 OUTLIER -76.4 -36.25 58.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 84.0 p -59.16 153.79 17.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.022 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.41 27.89 4.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.123 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -134.64 133.47 40.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -54.99 115.42 2.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.08 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.424 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 73.4 tp60 -100.52 118.89 37.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.34 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.64 145.06 43.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 109.965 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.431 ' SD ' ' CE3' ' A' ' 67' ' ' TRP . 0.3 OUTLIER -133.01 34.5 3.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.954 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.477 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -78.82 56.57 4.26 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER 158.04 -26.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 0.729 . . . . 0.0 109.352 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.431 ' CE3' ' SD ' ' A' ' 64' ' ' MET . 13.7 m0 -44.09 162.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 108.007 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -146.12 170.0 17.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.295 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.571 HD12 ' CZ ' ' A' ' 83' ' ' PHE . 4.6 mt -132.34 118.28 35.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.406 ' NE ' HD22 ' A' ' 78' ' ' LEU . 0.3 OUTLIER -97.65 128.61 44.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.575 1.172 . . . . 0.0 110.268 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -131.06 121.38 24.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -129.52 115.37 17.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.444 ' ND2' ' C ' ' A' ' 121' ' ' GLY . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.406 HD22 ' NE ' ' A' ' 70' ' ' ARG . 10.0 tp . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -108.83 126.23 52.82 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 56.4 m -114.52 100.63 8.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.356 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.514 ' HB2' ' CH2' ' A' ' 114' ' ' TRP . 60.5 t80 -82.57 98.96 9.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -76.8 124.67 28.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.571 ' CZ ' HD12 ' A' ' 69' ' ' ILE . 13.7 m-85 -68.68 167.85 17.45 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.401 ' O ' ' HA2' ' A' ' 65' ' ' GLY . 18.3 Cg_endo -74.94 146.51 33.0 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.484 1.781 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.415 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.4 Cg_endo -74.97 11.61 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.536 1.809 . . . . 0.0 111.033 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.83 47.54 2.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -128.55 147.85 50.73 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.1 m -147.39 112.66 5.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 110.429 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 47.8 tp -84.06 98.09 9.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -49.59 170.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -82.75 134.5 35.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 71.69 6.08 62.13 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -89.63 174.57 7.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 0.768 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 11.3 p -142.15 157.23 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.402 ' CG2' ' O ' ' A' ' 110' ' ' THR . 14.4 p -142.56 148.63 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.9 m -122.75 130.5 53.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.391 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.411 ' N ' HD12 ' A' ' 97' ' ' ILE . 4.6 mp -116.09 80.85 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.611 ' CG ' ' CB ' ' A' ' 104' ' ' ALA . 34.8 m95 -67.05 162.91 21.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 107.979 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -107.94 145.11 34.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.2 t -38.83 -57.99 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -43.59 -53.45 6.06 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.467 ' CB ' ' HD2' ' A' ' 50' ' ' LYS . . . -54.83 148.05 13.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 0.754 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -88.46 42.68 3.08 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.531 1.145 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.611 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -76.99 174.61 10.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -125.69 116.02 21.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 110.396 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -53.26 111.5 0.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.589 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.494 ' CB ' ' HB2' ' A' ' 111' ' ' ASP . 0.2 OUTLIER -144.28 68.66 15.55 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.011 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.525 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.2 Cg_endo -74.97 169.76 21.91 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.514 1.797 . . . . 0.0 110.979 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.525 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -74.95 -10.11 23.97 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.041 -2.483 . . . . 0.0 110.998 -0.051 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 107' ' ' SER . 34.4 p -60.96 -82.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.403 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.494 ' HB2' ' CB ' ' A' ' 107' ' ' SER . 77.9 m-20 -73.08 146.07 46.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.095 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.469 ' CD2' ' HB3' ' A' ' 108' ' ' PRO . 13.4 mt -143.92 149.07 36.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.336 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 53.9 t -122.13 117.61 52.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.514 ' CH2' ' HB2' ' A' ' 81' ' ' TYR . 6.4 t90 -79.45 99.08 7.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 108.017 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -80.78 -44.39 18.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -43.47 -43.84 5.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.485 ' HB2' ' CD2' ' A' ' 114' ' ' TRP . 0.9 OUTLIER -100.22 176.02 5.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.305 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -114.85 -20.39 10.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 9.1 t -170.22 156.93 6.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.42 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 61.3 m95 -75.16 -21.9 58.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 108.008 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . 0.444 ' C ' ' ND2' ' A' ' 73' ' ' ASN . . . 108.61 145.94 11.71 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 6.0 p -118.05 -172.04 2.18 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 124.75 140.99 5.59 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 24.1 p -43.06 -46.91 5.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 109.996 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.0 m -100.41 127.12 46.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.143 . . . . 0.0 109.971 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.418 HD21 ' ND2' ' A' ' 73' ' ' ASN . 0.3 OUTLIER -134.53 146.08 49.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -143.3 122.8 13.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 23.0 m -120.39 163.48 17.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.421 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -158.44 153.44 25.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.251 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 13.3 tp -120.82 131.0 54.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 12.7 mm -112.6 147.25 16.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . 0.456 ' O ' ' C ' ' A' ' 133' ' ' SER . 7.2 p30 -101.44 -170.16 1.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 132' ' ' ASN . 6.9 p -34.28 -60.08 0.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.996 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 136' ' ' GLU . 2.3 t -83.13 162.31 21.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 110.356 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -68.29 59.46 0.42 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.451 1.094 . . . . 0.0 111.004 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 134' ' ' THR . 20.9 tt0 -133.54 141.23 47.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 0.775 . . . . 0.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.433 ' HG2' ' N ' ' A' ' 138' ' ' VAL . 1.9 tt0 -87.68 141.94 28.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 37' ' ' SER . 3.3 m -109.62 -36.46 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -150.32 158.21 43.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 19.2 ptm -145.11 137.46 25.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . 0.494 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 18.8 ttm-85 -118.17 117.61 29.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.253 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . 0.624 ' HB3' ' CD2' ' A' ' 33' ' ' HIS . 10.5 tttt -108.13 131.64 54.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.402 ' CD1' ' HB3' ' A' ' 47' ' ' GLU . 1.0 OUTLIER -128.13 107.3 9.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 2.4 t -115.51 133.27 62.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 44.5 ttt180 . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 -179.977 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.482 ' CB ' ' HA ' ' A' ' 141' ' ' ARG . . . -103.97 151.86 22.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.0 mmt85 -153.91 117.27 4.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.252 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.06 148.18 22.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.36 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 138' ' ' VAL . 5.6 m -156.25 82.11 0.99 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.95 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 164.62 -145.06 9.91 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -94.65 -39.41 10.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 0.793 . . . . 0.0 110.316 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.472 ' CG2' ' HG3' ' A' ' 62' ' ' GLN . 48.8 t -97.71 165.04 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.462 ' N ' ' CG1' ' A' ' 40' ' ' VAL . . . -145.41 158.06 43.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.6 t -82.72 85.15 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.245 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -39.6 -69.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.239 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -156.74 130.93 8.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.279 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.48 HG21 ' CG1' ' A' ' 52' ' ' VAL . 10.9 t -120.61 106.15 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.58 110.71 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -56.8 -36.81 70.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.326 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -58.81 -16.53 17.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.42 58.47 3.11 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.468 1.105 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.0 mtmm -111.26 -46.81 3.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 0.781 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.548 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 49.6 p90 -156.89 155.43 31.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 110.983 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.48 ' CG1' HG21 ' A' ' 45' ' ' VAL . 34.2 t -116.7 112.98 41.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.506 ' CG ' ' OG1' ' A' ' 96' ' ' THR . 0.0 OUTLIER -101.78 126.56 48.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.312 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.8 mt -121.64 134.54 54.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.348 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -121.37 150.25 41.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 110.263 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 58' ' ' SER . 31.6 t-20 -93.82 142.91 26.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -112.37 -32.31 6.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.25 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.449 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 1.4 t -61.1 169.78 1.9 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.546 1.153 . . . . 0.0 110.02 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.505 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 2.5 p30 -94.71 -26.12 16.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -97.92 136.9 37.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -42.71 157.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.489 ' NE2' ' N ' ' A' ' 63' ' ' SER . 0.0 OUTLIER -119.26 100.6 7.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.279 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.489 ' N ' ' NE2' ' A' ' 62' ' ' GLN . 5.8 p -64.36 113.59 3.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.037 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.492 ' HE2' ' CE2' ' A' ' 83' ' ' PHE . 0.4 OUTLIER -110.34 45.28 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 111.004 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.477 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -86.88 54.29 4.57 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER 157.77 -26.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 0.797 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.461 ' CE2' ' OE1' ' A' ' 62' ' ' GLN . 11.5 m0 -44.04 163.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 107.973 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -147.82 171.92 14.96 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.578 HD13 ' CZ ' ' A' ' 83' ' ' PHE . 4.2 mt -131.7 121.21 47.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.09 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.492 ' HG3' ' CG1' ' A' ' 131' ' ' ILE . 3.9 mtp85 -93.63 145.38 24.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.329 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.42 ' NH1' ' OG1' ' A' ' 128' ' ' THR . 0.1 OUTLIER -145.07 107.25 4.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -115.72 96.2 5.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 14.9 tp . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.1 mpp? -116.22 157.09 25.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.964 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 73.0 m -140.93 114.41 8.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.427 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -93.05 98.02 11.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.31 123.63 27.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.578 ' CZ ' HD13 ' A' ' 69' ' ' ILE . 15.2 m-85 -69.94 166.43 32.83 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.988 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.466 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.3 Cg_endo -75.01 146.1 32.19 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.492 1.785 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.408 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.5 Cg_endo -74.97 18.27 0.54 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.477 1.777 . . . . 0.0 111.024 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.466 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.0 OUTLIER -140.34 43.38 1.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -123.39 149.16 45.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 m -149.4 112.68 4.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.428 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.436 ' CD2' HG23 ' A' ' 40' ' ' VAL . 44.6 tp -86.39 93.48 9.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -45.17 166.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 59' ' ' ASN . . . -79.46 135.85 36.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.33 3.02 64.49 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -88.02 175.3 7.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 0.0 110.247 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.424 HG21 ' N ' ' A' ' 95' ' ' VAL . 11.9 p -145.91 154.07 13.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.538 1.149 . . . . 0.0 109.254 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.424 ' N ' HG21 ' A' ' 94' ' ' VAL . 8.6 p -141.2 146.39 23.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.506 ' OG1' ' CG ' ' A' ' 53' ' ' ARG . 93.0 m -120.0 131.68 55.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 110.415 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 4.6 mp -117.54 79.89 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.548 ' CE3' ' HB3' ' A' ' 51' ' ' PHE . 43.7 m95 -64.17 164.85 10.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 108.008 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 100' ' ' SER . . . -109.89 144.42 38.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 99' ' ' ALA . 3.3 t -37.5 -59.31 0.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.994 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 118' ' ' ASN . . . -37.34 -65.77 0.59 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 111.034 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.5 150.56 1.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 0.754 . . . . 0.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -91.21 45.89 2.83 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.447 1.092 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.516 ' HB2' ' CD2' ' A' ' 98' ' ' TRP . . . -74.25 -177.95 3.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 0.763 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.49 115.77 16.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.447 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -55.03 109.72 0.56 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.614 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.489 ' CB ' ' HB2' ' A' ' 111' ' ' ASP . 0.3 OUTLIER -141.62 68.02 24.69 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.045 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.52 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.2 Cg_endo -75.01 169.25 23.03 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.504 1.791 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.52 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -75.04 -13.14 23.89 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 120.981 -2.508 . . . . 0.0 111.028 0.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.503 ' OG1' ' N ' ' A' ' 111' ' ' ASP . 44.8 p -57.37 -80.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.398 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.503 ' N ' ' OG1' ' A' ' 110' ' ' THR . 37.2 m-20 -75.78 148.15 38.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.476 ' CD2' ' HB3' ' A' ' 108' ' ' PRO . 36.9 mt -145.32 148.77 33.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 49.5 t -123.32 119.63 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.325 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.498 ' CD2' ' HB2' ' A' ' 117' ' ' GLN . 7.2 t90 -81.69 98.23 8.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 107.955 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -78.73 -45.9 20.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -40.06 -52.81 2.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.498 ' HB2' ' CD2' ' A' ' 114' ' ' TRP . 0.8 OUTLIER -91.84 175.86 6.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.117 . . . . 0.0 110.284 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 101' ' ' GLY . 3.8 p30 -114.36 -26.54 7.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 11.6 t -164.4 134.5 4.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.152 . . . . 0.0 110.438 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 50.6 m95 -50.81 -36.65 38.28 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 119.74 137.67 5.53 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.536 1.147 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 27.7 p -113.49 -157.71 0.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 109.46 152.92 14.68 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 55.2 p -55.42 -42.56 74.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 110.026 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 6.5 m -96.23 119.14 34.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.978 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -135.72 145.63 46.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -150.36 112.37 4.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.333 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.42 ' OG1' ' NH1' ' A' ' 71' ' ' ARG . 36.7 m -111.17 151.35 28.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.422 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -146.42 162.46 38.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 12.5 tp -127.78 130.17 48.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.492 ' CG1' ' HG3' ' A' ' 70' ' ' ARG . 20.0 mm -105.74 154.05 7.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . 0.571 ' OD1' ' N ' ' A' ' 132' ' ' ASN . 0.0 OUTLIER -110.51 -170.73 1.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 132' ' ' ASN . 24.1 p -36.49 -54.58 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.984 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 57.2 p -85.03 161.94 19.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 110.37 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -69.16 57.66 0.59 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.436 1.085 . . . . 0.0 111.027 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . 0.448 ' CG ' ' N ' ' A' ' 137' ' ' GLU . 21.1 tt0 -137.82 156.75 47.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.767 . . . . 0.0 110.356 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.448 ' N ' ' CG ' ' A' ' 136' ' ' GLU . 13.0 tt0 -95.36 136.19 36.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 110.272 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.457 ' CG1' ' CG ' ' A' ' 132' ' ' ASN . 1.9 m -111.41 -17.98 7.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -154.27 157.38 38.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 14.0 ptm -149.38 154.2 38.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.083 . . . . 0.0 111.005 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . 0.482 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 13.7 ttm-85 -147.32 86.02 1.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.335 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 33.0 tttt -81.84 155.57 25.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.438 1.087 . . . . 0.0 109.287 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -158.13 111.84 2.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 3.9 t -122.36 124.37 70.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.977 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.459 ' CB ' ' HA ' ' A' ' 141' ' ' ARG . . . -108.84 145.08 35.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.361 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.2 mmt85 -137.69 109.07 6.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.316 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.22 148.33 28.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.429 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 138' ' ' VAL . 1.3 m -155.81 81.96 1.02 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.435 1.085 . . . . 0.0 110.014 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.37 -134.16 3.63 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.583 1.177 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -106.49 -41.15 5.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 0.779 . . . . 0.0 110.336 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 97.7 t -94.19 152.0 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.84 145.8 42.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.353 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.447 ' CG1' HG23 ' A' ' 45' ' ' VAL . 47.2 t -72.66 86.1 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 42' ' ' VAL . 0.1 OUTLIER -37.24 -65.53 0.3 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -162.16 134.57 5.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.329 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.52 ' CG1' ' NH2' ' A' ' 71' ' ' ARG . 7.5 t -120.8 106.42 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -42.49 106.93 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.446 ' O ' ' CD1' ' A' ' 126' ' ' LEU . 7.9 pt-20 -52.57 -40.66 62.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 110.267 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -54.34 -30.74 52.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 110.302 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.55 80.78 1.42 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.3 mtmt -139.59 -54.57 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 0.762 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.559 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 29.9 p90 -141.98 154.86 45.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.651 ' CG2' ' CE2' ' A' ' 120' ' ' TRP . 42.4 t -117.66 114.98 47.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.92 121.66 39.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.437 ' CD1' HD11 ' A' ' 69' ' ' ILE . 7.3 mt -119.34 131.38 55.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.429 ' NE ' ' HE2' ' A' ' 57' ' ' LYS . 0.3 OUTLIER -125.13 146.25 49.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -96.13 136.22 36.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.429 ' HE2' ' NE ' ' A' ' 55' ' ' ARG . 3.4 mmtt -105.12 -22.49 13.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 57.6 p -64.19 160.45 18.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.465 ' C ' ' CB ' ' A' ' 91' ' ' ALA . 2.9 t30 -88.05 -22.96 23.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -102.06 137.49 40.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -52.26 129.63 28.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 40.1 tp60 -99.26 114.92 28.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.9 t -76.63 120.92 22.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.995 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.519 ' HA ' ' CG ' ' A' ' 67' ' ' TRP . 20.1 mtp -100.86 44.22 1.02 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.472 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -77.63 114.2 3.94 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.5 OUTLIER 80.09 8.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 0.787 . . . . 0.0 109.278 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.519 ' CG ' ' HA ' ' A' ' 64' ' ' MET . 10.7 m0 -70.18 167.77 17.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 107.97 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -148.61 169.1 21.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.283 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.544 ' CD1' ' CE2' ' A' ' 83' ' ' PHE . 2.0 mt -137.56 110.24 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 129' ' ' ALA . 0.7 OUTLIER -78.48 147.21 34.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 110.298 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.52 ' NH2' ' CG1' ' A' ' 45' ' ' VAL . 5.0 tpp180 -149.79 118.82 6.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.326 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -126.53 141.35 51.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.369 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.3 tp . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -107.04 152.01 24.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 93.7 m -135.0 102.09 5.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.404 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.412 ' CD1' HD12 ' A' ' 69' ' ' ILE . 41.0 t80 -72.76 105.9 4.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 111.026 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -82.33 141.4 32.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.26 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.544 ' CE2' ' CD1' ' A' ' 69' ' ' ILE . 14.0 m-85 -92.81 168.85 11.57 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.503 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.2 Cg_endo -75.0 152.55 40.88 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.537 1.809 . . . . 0.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 30.19 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.431 1.753 . . . . 0.0 111.022 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.503 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.0 OUTLIER -166.05 59.91 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -127.34 126.04 41.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.61 139.87 52.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.386 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.425 ' O ' ' O ' ' A' ' 90' ' ' LYS . 43.7 tp -118.27 91.14 3.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 89' ' ' LEU . 33.2 mtmt -42.91 165.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.465 ' CB ' ' C ' ' A' ' 59' ' ' ASN . . . -81.72 133.93 35.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.22 6.08 85.92 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.431 1.082 . . . . 0.0 111.059 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -90.91 173.12 8.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 0.769 . . . . 0.0 110.356 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.0 p -141.22 158.78 22.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.443 ' CG2' ' O ' ' A' ' 110' ' ' THR . 9.6 p -143.06 149.01 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 112' ' ' LEU . 1.6 m -122.79 128.61 50.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.381 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.428 ' CD1' ' O ' ' A' ' 52' ' ' VAL . 4.0 mp -115.46 82.18 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.569 ' CG ' ' CB ' ' A' ' 104' ' ' ALA . 46.0 m95 -68.4 163.8 22.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 108.013 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 100' ' ' SER . . . -111.21 143.02 42.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 99' ' ' ALA . 3.6 t -37.57 -51.04 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.987 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 118' ' ' ASN . . . -83.4 59.61 4.96 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -137.66 -47.66 0.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 0.74 . . . . 0.0 109.298 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 103.71 20.4 10.85 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.529 1.143 . . . . 0.0 111.042 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.569 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -80.32 -171.04 2.81 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 0.763 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -134.46 122.25 22.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.442 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.491 ' CE1' HD21 ' A' ' 112' ' ' LEU . 22.3 t60 -56.75 93.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.593 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 111' ' ' ASP . 0.5 OUTLIER -125.26 72.68 66.03 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.03 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.53 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.2 Cg_endo -74.97 169.33 22.86 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.53 1.805 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.53 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.5 Cg_endo -74.91 -23.2 12.89 Favored 'Cis proline' 0 C--N 1.361 1.21 0 C-N-CA 121.009 -2.496 . . . . 0.0 111.01 -0.09 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.443 ' O ' ' CG2' ' A' ' 95' ' ' VAL . 42.7 p -53.87 -90.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.427 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 107' ' ' SER . 5.6 m-20 -63.72 142.1 58.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.491 HD21 ' CE1' ' A' ' 106' ' ' HIS . 17.0 mt -144.1 164.63 30.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.412 HG23 ' N ' ' A' ' 106' ' ' HIS . 57.3 t -133.16 126.47 53.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.403 ' CE2' ' HB2' ' A' ' 117' ' ' GLN . 6.7 t90 -89.39 95.39 10.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 108.038 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 116' ' ' ALA . 20.1 mtpt -77.6 -47.22 19.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 115' ' ' LYS . . . -39.83 -43.93 1.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.356 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.403 ' HB2' ' CE2' ' A' ' 114' ' ' TRP . 1.1 mm100 -104.08 176.03 5.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.42 ' O ' ' N ' ' A' ' 101' ' ' GLY . 3.8 p30 -114.2 -20.67 10.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 12.1 t -169.44 136.02 1.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.378 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.651 ' CE2' ' CG2' ' A' ' 52' ' ' VAL . 59.7 m95 -48.55 -40.11 25.9 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 126.76 142.76 5.7 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 2.3 p -114.59 -172.69 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 129.88 139.39 4.57 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 9.6 p -42.77 -34.47 0.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 0.0 109.995 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -121.47 134.92 55.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 110.026 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.446 ' CD1' ' O ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -135.06 150.47 50.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 1.6 ttp85 -139.77 105.92 5.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 24.1 m -107.38 159.52 16.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 110.423 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 70' ' ' ARG . . . -159.51 160.42 34.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.235 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 12.7 tp -123.97 133.03 53.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 13.6 mm -116.42 147.79 19.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . 0.471 ' OD1' ' CG2' ' A' ' 134' ' ' THR . 7.8 p30 -100.53 -171.41 2.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 132' ' ' ASN . 24.0 p -36.05 -58.63 0.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.471 ' CG2' ' OD1' ' A' ' 132' ' ' ASN . 2.8 t -81.48 160.25 24.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.385 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -67.93 60.94 0.36 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 134' ' ' THR . 18.1 tt0 -137.56 139.51 40.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 0.0 110.3 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -84.84 147.39 26.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.25 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 37' ' ' SER . 2.7 m -115.12 -36.25 2.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -144.07 157.51 44.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 14.1 ptm -138.38 146.5 42.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . 0.459 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 25.9 ttm-85 -137.71 103.76 5.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.148 . . . . 0.0 110.234 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -106.03 131.95 52.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.115 . . . . 0.0 109.322 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -121.56 119.55 32.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.346 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 3.3 t -115.95 137.82 48.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.306 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -100.36 161.71 13.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.87 106.33 1.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.0 149.25 26.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.395 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.2 OUTLIER -156.17 82.14 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.044 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 157.88 -137.47 5.32 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.548 1.155 . . . . 0.0 111.021 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.454 ' CG ' ' HB3' ' A' ' 58' ' ' SER . 5.1 mtm-85 -103.6 -38.27 7.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 0.753 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.4 ' CG2' ' HG2' ' A' ' 62' ' ' GLN . 65.6 t -92.52 160.97 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -148.59 145.57 27.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.416 ' CG1' ' HD2' ' A' ' 141' ' ' ARG . 24.7 t -75.15 85.52 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.07 -62.03 0.69 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.343 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -163.63 132.33 3.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 110.319 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.457 HG23 ' CG1' ' A' ' 52' ' ' VAL . 6.8 t -119.71 102.78 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -44.12 109.18 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -56.14 -32.73 64.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -56.86 -35.05 68.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.92 64.22 0.99 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -124.01 -52.32 1.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 0.752 . . . . 0.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.567 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 33.1 p90 -146.17 156.11 43.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.656 ' CG2' ' CE2' ' A' ' 120' ' ' TRP . 25.2 t -119.1 114.99 46.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.89 125.76 40.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.337 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.456 ' CD1' HD13 ' A' ' 69' ' ' ILE . 5.7 mt -124.81 126.91 46.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.473 ' CG ' HG21 ' A' ' 94' ' ' VAL . 28.0 ttp180 -119.05 147.06 44.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.266 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -93.25 136.74 33.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -103.26 -24.84 13.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.454 ' HB3' ' CG ' ' A' ' 39' ' ' ARG . 56.0 p -61.92 168.7 2.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.022 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.494 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 1.9 p30 -100.62 -26.5 13.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -93.62 131.99 38.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -44.37 117.99 1.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.51 ' NE2' ' H ' ' A' ' 63' ' ' SER . 63.2 tp60 -84.39 158.53 21.07 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.445 1.091 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.51 ' H ' ' NE2' ' A' ' 62' ' ' GLN . 35.6 t -124.64 121.95 36.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.024 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.544 ' HA ' ' CG ' ' A' ' 67' ' ' TRP . 13.6 mtp -106.05 46.24 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 111.011 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -78.98 113.07 3.59 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER 81.46 5.88 1.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 0.757 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.544 ' CG ' ' HA ' ' A' ' 64' ' ' MET . 11.7 m0 -66.64 167.15 11.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 108.025 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -147.46 168.51 21.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.317 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.595 ' CD1' ' CE2' ' A' ' 83' ' ' PHE . 2.1 mt -135.77 111.69 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.5 mtt-85 -83.12 140.91 32.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.345 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.446 ' HB3' ' CG ' ' A' ' 79' ' ' MET . 0.7 OUTLIER -143.48 116.2 8.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.3 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.421 ' CG ' ' HG ' ' A' ' 78' ' ' LEU . 10.2 tm0? -129.72 134.22 47.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.413 ' ND2' ' HA3' ' A' ' 121' ' ' GLY . 4.5 p30 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.421 ' HG ' ' CG ' ' A' ' 72' ' ' GLN . 1.4 tt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.446 ' CG ' ' HB3' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -114.1 155.7 25.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.985 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 52.6 m -144.55 101.28 3.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.397 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.405 ' HE1' ' CE1' ' A' ' 83' ' ' PHE . 39.0 t80 -74.39 106.74 6.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 111.034 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -80.92 147.74 30.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 110.278 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.595 ' CE2' ' CD1' ' A' ' 69' ' ' ILE . 11.0 m-85 -102.3 170.02 6.88 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 111.047 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 153.33 41.58 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.485 1.782 . . . . 0.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 6.1 3.59 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.4 mmmt -140.16 66.37 1.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -130.28 122.59 28.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -118.87 120.31 36.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.402 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 62' ' ' GLN . 58.9 tp -99.75 90.54 4.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -40.49 159.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 59' ' ' ASN . . . -75.97 133.38 40.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.346 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 76.66 3.83 79.87 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.3 -179.04 6.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.473 HG21 ' CG ' ' A' ' 55' ' ' ARG . 17.2 t -151.71 144.51 16.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 1.9 p -130.16 140.35 49.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 109.331 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 112' ' ' LEU . 1.3 m -111.96 132.99 54.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 110.388 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.422 HD13 ' N ' ' A' ' 97' ' ' ILE . 4.6 mp -117.27 81.61 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.601 ' CB ' ' CB ' ' A' ' 104' ' ' ALA . 31.1 m95 -71.44 163.18 28.19 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 100' ' ' SER . . . -104.36 146.07 29.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.36 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 99' ' ' ALA . 2.5 t -37.98 -37.09 0.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.0 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -110.42 71.65 0.21 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -151.65 23.06 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 0.792 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 42.54 41.1 4.04 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.511 1.132 . . . . 0.0 111.019 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.601 ' CB ' ' CB ' ' A' ' 98' ' ' TRP . . . -99.33 -171.23 2.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 0.746 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -146.66 120.58 9.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.368 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.486 ' NE2' ' HG3' ' A' ' 108' ' ' PRO . 21.7 t60 -56.81 94.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.617 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 111' ' ' ASP . 0.5 OUTLIER -128.61 68.98 79.11 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.979 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.537 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.3 Cg_endo -75.04 169.62 22.21 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.471 1.774 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.537 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -75.0 -13.29 23.71 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.999 -2.5 . . . . 0.0 111.058 -0.002 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 37.7 p -58.27 -92.35 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 110.453 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' A' ' 112' ' ' LEU . 3.0 t0 -69.99 143.61 52.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.348 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.469 ' CD2' ' HB3' ' A' ' 108' ' ' PRO . 18.7 mt -139.04 164.84 28.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.406 HG23 ' N ' ' A' ' 106' ' ' HIS . 72.1 t -132.09 126.54 56.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.511 ' CE2' ' HB2' ' A' ' 117' ' ' GLN . 6.7 t90 -87.77 100.11 12.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.16 . . . . 0.0 108.011 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -79.38 -37.64 36.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.36 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -52.06 -41.9 62.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.511 ' HB2' ' CE2' ' A' ' 114' ' ' TRP . 0.8 OUTLIER -112.89 170.81 7.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.323 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -113.4 -21.41 10.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.264 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 11.3 t -157.19 144.79 18.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.372 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.656 ' CE2' ' CG2' ' A' ' 52' ' ' VAL . 52.1 m95 -64.36 -46.71 82.23 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . 0.413 ' HA3' ' ND2' ' A' ' 73' ' ' ASN . . . 135.5 135.1 3.42 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.488 1.118 . . . . 0.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . 0.433 ' O ' ' CD2' ' A' ' 126' ' ' LEU . 22.0 p -110.34 -156.18 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 110.17 159.68 17.53 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.48 1.112 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 145' ' ' ARG . 91.0 p -58.99 -55.09 39.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.773 . . . . 0.0 109.946 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.498 ' HA ' ' CG2' ' A' ' 144' ' ' VAL . 16.5 p -94.1 127.46 39.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.977 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.433 ' CD2' ' O ' ' A' ' 122' ' ' CYS . 0.6 OUTLIER -136.38 158.27 44.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -160.29 123.34 3.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 15.9 m -121.04 162.32 20.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.354 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -158.58 156.31 29.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 13.2 tp -119.48 131.35 55.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 18.1 mm -115.3 147.04 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.153 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . 0.467 ' OD1' ' CG2' ' A' ' 134' ' ' THR . 6.4 p30 -98.38 -170.97 2.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 132' ' ' ASN . 23.5 p -36.1 -58.74 0.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.029 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.467 ' CG2' ' OD1' ' A' ' 132' ' ' ASN . 1.9 t -81.67 161.07 23.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.39 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -68.43 63.61 0.42 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.127 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . 0.408 ' O ' ' ND2' ' A' ' 132' ' ' ASN . 15.8 tt0 -139.49 137.19 35.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.756 . . . . 0.0 110.288 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.413 ' HG2' ' N ' ' A' ' 138' ' ' VAL . 8.1 tt0 -84.38 141.07 31.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.327 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 37' ' ' SER . 2.4 m -107.84 -38.9 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -142.27 161.45 37.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -141.47 154.25 45.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . 0.416 ' HD2' ' CG1' ' A' ' 42' ' ' VAL . 3.9 ttt85 -145.04 97.45 3.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -92.89 151.68 19.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 126' ' ' LEU . 0.3 OUTLIER -160.26 116.63 2.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.498 ' CG2' ' HA ' ' A' ' 125' ' ' SER . 9.9 p -128.48 151.45 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 124' ' ' SER . 32.9 ttt180 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.276 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.47 ' CB ' ' HA ' ' A' ' 141' ' ' ARG . . . -101.91 159.58 15.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -158.86 109.22 2.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -88.59 147.68 24.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.387 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.2 OUTLIER -156.12 82.14 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.989 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 160.75 -145.14 10.66 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.419 ' CD ' ' CD ' ' A' ' 60' ' ' GLU . 10.9 mtm-85 -97.42 -40.79 8.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 0.763 . . . . 0.0 110.23 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.456 ' CG2' ' HG3' ' A' ' 62' ' ' GLN . 23.2 t -95.62 144.35 10.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 109.27 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -129.67 154.7 46.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.438 ' CG1' ' HD2' ' A' ' 141' ' ' ARG . 60.8 t -80.64 86.7 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 109.278 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.87 -67.89 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -158.6 132.52 7.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.261 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.473 HG21 ' CG1' ' A' ' 52' ' ' VAL . 8.2 t -120.27 107.36 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.93 107.48 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -56.49 -36.31 68.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -57.67 -17.95 17.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.94 64.66 1.91 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.488 1.117 . . . . 0.0 111.026 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -121.98 -47.49 2.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 0.762 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.619 ' CD2' ' CZ3' ' A' ' 98' ' ' TRP . 28.3 p90 -154.07 156.73 37.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.502 HG21 ' CD2' ' A' ' 120' ' ' TRP . 23.4 t -117.84 118.58 58.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.257 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.16 126.06 50.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.273 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.0 mt -125.5 139.55 53.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.6 ttp85 -126.48 153.93 44.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 110.273 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -99.64 99.81 10.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.348 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.441 ' N ' ' HD2' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -68.34 -35.74 78.21 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.516 1.135 . . . . 0.0 109.36 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.404 ' CB ' ' HB3' ' A' ' 39' ' ' ARG . 15.7 t -57.55 172.27 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 110.007 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.477 ' C ' ' CB ' ' A' ' 91' ' ' ALA . 1.8 p30 -108.2 -0.8 20.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.419 ' CD ' ' CD ' ' A' ' 39' ' ' ARG . 1.5 pt-20 -108.72 154.06 22.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.274 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 -64.93 136.68 57.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.61 ' OE1' ' CZ2' ' A' ' 67' ' ' TRP . 0.0 OUTLIER -112.34 102.87 10.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.524 ' N ' ' NE2' ' A' ' 62' ' ' GLN . 55.5 m -72.79 120.4 18.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.996 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.511 ' HE3' ' CE2' ' A' ' 83' ' ' PHE . 0.5 OUTLIER -113.64 47.24 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 111.029 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.503 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -88.28 56.71 4.25 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.456 1.098 . . . . 0.0 111.035 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER 155.67 -24.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 0.769 . . . . 0.0 109.292 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.61 ' CZ2' ' OE1' ' A' ' 62' ' ' GLN . 11.4 m0 -42.25 161.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 107.997 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.439 ' CG ' ' C ' ' A' ' 67' ' ' TRP . 5.0 mt-30 -153.98 133.99 13.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.325 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.593 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 13.0 mt -91.83 124.26 44.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.5 mtt-85 -97.44 117.88 32.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.44 ' CZ ' ' O ' ' A' ' 120' ' ' TRP . 9.2 tpt180 -115.03 111.53 21.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.267 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.401 ' N ' ' HD2' ' A' ' 71' ' ' ARG . 5.5 tm0? -117.68 126.96 53.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.423 ' OD1' ' NE ' ' A' ' 71' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 22.8 tp . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 51.2 mtm -113.81 152.17 31.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.3 m -140.23 88.52 2.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.393 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.489 ' CD2' ' O ' ' A' ' 81' ' ' TYR . 41.0 t80 -71.79 95.74 1.55 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -75.02 127.69 33.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.593 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 10.6 m-85 -74.29 169.05 21.07 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.414 ' O ' ' HA2' ' A' ' 65' ' ' GLY . 18.3 Cg_endo -75.03 147.89 34.43 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.496 1.788 . . . . 0.0 111.0 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 5.15 4.15 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.457 1.767 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.407 ' N ' ' HD3' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -128.8 50.38 2.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -128.23 141.76 51.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 110.948 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 m -144.1 105.72 4.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.385 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 34.8 tp -84.08 91.94 7.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -46.5 166.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.477 ' CB ' ' C ' ' A' ' 59' ' ' ASN . . . -76.15 138.18 40.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 75.35 -0.46 59.8 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 91' ' ' ALA . 0.4 OUTLIER -87.27 169.31 12.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.754 . . . . 0.0 110.289 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.404 HG23 ' N ' ' A' ' 95' ' ' VAL . 10.9 p -139.51 154.25 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.092 . . . . 0.0 109.322 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.404 ' N ' HG23 ' A' ' 94' ' ' VAL . 5.9 p -141.16 136.62 33.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.3 m -113.93 132.86 55.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.405 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 4.8 mp -118.8 83.95 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.619 ' CZ3' ' CD2' ' A' ' 51' ' ' PHE . 23.7 m95 -69.33 167.42 16.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 108.056 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 101' ' ' GLY . . . -111.96 136.6 51.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.155 . . . . 0.0 109.301 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 99' ' ' ALA . 47.1 t -38.67 -30.23 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 0.0 110.031 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 99' ' ' ALA . . . -66.94 -51.63 38.54 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.467 1.104 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 99' ' ' ALA . . . -47.06 -48.99 22.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.749 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 89.27 24.47 31.4 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.447 ' HB3' ' CB ' ' A' ' 98' ' ' TRP . . . -59.55 -163.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 0.784 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.69 115.81 22.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.417 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -58.64 111.24 1.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.631 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.48 ' CB ' ' HB2' ' A' ' 111' ' ' ASP . 0.6 OUTLIER -143.02 68.23 17.81 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.002 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.525 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.2 Cg_endo -75.05 169.74 21.93 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.545 1.813 . . . . 0.0 110.965 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.525 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -74.99 -10.94 24.24 Favored 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 121.045 -2.481 . . . . 0.0 111.005 -0.012 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 107' ' ' SER . 35.0 p -59.57 -79.26 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.432 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.48 ' HB2' ' CB ' ' A' ' 107' ' ' SER . 4.4 m-20 -76.91 143.96 39.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.496 ' CD2' ' HB3' ' A' ' 108' ' ' PRO . 8.8 mt -143.15 144.93 32.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 42.6 t -118.1 127.18 75.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.529 ' CD2' ' HB2' ' A' ' 117' ' ' GLN . 5.4 t90 -84.78 102.14 12.79 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.86 -44.22 17.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -49.58 -35.49 20.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.529 ' HB2' ' CD2' ' A' ' 114' ' ' TRP . 0.4 OUTLIER -115.4 174.31 6.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 110.297 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -136.82 15.22 3.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 1.7 t -176.5 148.46 0.73 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.378 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.502 ' CD2' HG21 ' A' ' 52' ' ' VAL . 43.1 m95 -92.5 15.45 14.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 108.038 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 73.38 112.19 0.07 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.507 1.129 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 11.4 p -97.4 -169.91 1.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 122.09 154.18 9.08 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.52 1.138 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 67.6 p -54.56 -42.52 71.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 0.752 . . . . 0.0 109.993 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 44.7 m -96.39 122.15 38.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.033 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.52 150.23 47.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -153.72 104.91 2.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 110.334 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 22.0 m -101.72 152.51 20.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.364 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -152.72 156.57 39.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 13.9 tp -120.2 132.4 55.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 24.6 mm -116.22 147.08 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . 0.537 ' HA ' ' CG ' ' A' ' 67' ' ' TRP . 10.6 p30 -99.99 -166.65 1.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.517 ' OG ' ' N ' ' A' ' 134' ' ' THR . 1.3 p -35.34 -66.04 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.99 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.517 ' N ' ' OG ' ' A' ' 133' ' ' SER . 14.6 t -79.1 162.71 25.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.376 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -67.76 62.1 0.32 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 134' ' ' THR . 12.5 tt0 -135.5 136.28 41.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 0.75 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.405 ' HG2' ' N ' ' A' ' 138' ' ' VAL . 4.8 tt0 -83.28 138.62 33.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.261 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 37' ' ' SER . 3.4 m -110.9 -30.62 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -144.73 157.44 44.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 15.1 ptm -142.78 151.77 41.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . 0.47 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 17.4 ttm-85 -144.65 82.31 1.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.328 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . 0.455 ' HD3' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -78.37 154.58 30.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -161.6 118.0 2.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.455 ' CG2' ' HD3' ' A' ' 142' ' ' LYS . 22.1 t -128.86 128.64 67.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 110.324 179.977 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -106.94 164.0 12.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.95 106.88 0.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.59 147.74 29.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 0.0 110.432 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 138' ' ' VAL . 2.3 m -156.28 81.98 0.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.989 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.68 -142.89 8.6 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.446 1.091 . . . . 0.0 111.034 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.448 ' NH1' ' CD ' ' A' ' 60' ' ' GLU . 8.8 mtm180 -95.32 -43.34 8.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 0.78 . . . . 0.0 110.316 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.414 ' CG1' ' N ' ' A' ' 41' ' ' ALA . 87.6 t -91.35 166.6 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.414 ' N ' ' CG1' ' A' ' 40' ' ' VAL . . . -151.48 141.95 22.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.0 t -67.83 86.99 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.99 -67.18 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.402 ' HA ' ' NH2' ' A' ' 141' ' ' ARG . 2.0 tp10 -161.64 134.47 6.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.468 HG23 ' CG1' ' A' ' 52' ' ' VAL . 6.5 t -119.83 109.61 26.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.525 ' OD2' ' N ' ' A' ' 49' ' ' GLY . 0.1 OUTLIER -42.91 117.55 1.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -68.56 -19.97 64.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -75.92 -12.71 60.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.525 ' N ' ' OD2' ' A' ' 46' ' ' ASP . . . 73.48 94.0 0.11 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.506 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 10.8 mtmt -158.91 -54.79 0.06 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 0.765 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.586 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 19.3 p90 -138.49 159.18 42.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.494 ' CG2' ' CE2' ' A' ' 120' ' ' TRP . 38.1 t -124.72 113.79 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.61 124.95 39.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.342 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.477 ' CD1' HD11 ' A' ' 69' ' ' ILE . 6.9 mt -123.35 132.93 54.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.411 ' HG2' ' CE ' ' A' ' 57' ' ' LYS . 17.4 ttp180 -124.04 148.06 47.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.326 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 32.6 t-20 -95.09 130.98 41.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.411 ' CE ' ' HG2' ' A' ' 55' ' ' ARG . 7.1 mmpt? -97.14 -30.27 13.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 82.6 p -61.19 154.89 22.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.441 ' C ' ' CB ' ' A' ' 91' ' ' ALA . 2.7 t30 -88.23 -15.29 36.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.448 ' CD ' ' NH1' ' A' ' 39' ' ' ARG . 5.6 pt-20 -96.27 149.24 21.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -63.79 124.24 20.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.414 ' HG2' ' CG2' ' A' ' 40' ' ' VAL . 42.8 tp60 -100.81 118.19 36.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.1 t -80.2 140.7 36.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.986 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.529 ' HA ' ' CD1' ' A' ' 67' ' ' TRP . 56.1 mtp -126.87 29.5 5.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -74.95 55.16 2.64 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.491 1.119 . . . . 0.0 110.953 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER 155.67 -24.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 0.783 . . . . 0.0 109.262 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.529 ' CD1' ' HA ' ' A' ' 64' ' ' MET . 11.1 m0 -44.12 163.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 108.021 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -144.22 168.51 19.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.665 ' CD1' ' CE2' ' A' ' 83' ' ' PHE . 6.8 mt -131.56 122.03 49.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.493 ' CZ ' ' OG1' ' A' ' 80' ' ' THR . 6.4 mtp85 -95.73 143.93 26.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.264 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -148.6 100.39 3.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.474 ' HB2' ' CD1' ' A' ' 78' ' ' LEU . 21.7 tm0? -117.81 126.61 52.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 121' ' ' GLY . 86.1 m-20 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.474 ' CD1' ' HB2' ' A' ' 72' ' ' GLN . 8.8 tp . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -118.87 159.37 23.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.493 ' OG1' ' CZ ' ' A' ' 70' ' ' ARG . 28.9 m -145.77 105.87 4.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.39 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.503 ' HB2' ' CH2' ' A' ' 114' ' ' TRP . 61.9 t80 -87.59 111.04 20.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.113 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.6 ttp85 -88.01 120.2 29.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.331 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.665 ' CE2' ' CD1' ' A' ' 69' ' ' ILE . 16.4 m-85 -63.89 166.5 9.81 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.423 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.2 Cg_endo -75.04 147.72 34.13 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.496 1.787 . . . . 0.0 110.942 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.429 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.2 Cg_endo -75.03 15.19 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.465 1.771 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.423 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.3 OUTLIER -134.07 41.74 2.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -129.18 135.29 48.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.8 m -135.98 113.26 10.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.425 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 30.1 tp -87.26 97.27 10.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -51.15 167.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.443 ' O ' ' NE2' ' A' ' 93' ' ' GLN . . . -78.22 136.07 37.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 75.87 2.65 71.59 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' A' ' 91' ' ' ALA . 0.9 OUTLIER -88.8 170.94 10.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 0.736 . . . . 0.0 110.285 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.415 HG22 ' N ' ' A' ' 95' ' ' VAL . 13.3 p -139.5 158.45 27.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.418 HG21 ' N ' ' A' ' 96' ' ' THR . 7.3 p -146.86 145.79 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.251 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 112' ' ' LEU . 21.8 m -122.37 126.77 48.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.406 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 4.2 mp -112.57 89.76 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 0.0 109.268 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.651 ' CG ' ' CB ' ' A' ' 104' ' ' ALA . 42.3 m95 -75.01 162.5 28.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.165 . . . . 0.0 107.981 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 50' ' ' LYS . . . -103.12 145.63 29.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.4 ' HB3' ' HA ' ' A' ' 118' ' ' ASN . 2.0 t -39.95 -53.37 2.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.029 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -50.44 -52.88 26.75 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.456 1.098 . . . . 0.0 111.01 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.41 150.24 1.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 0.781 . . . . 0.0 109.259 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -88.71 40.79 3.06 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.536 1.148 . . . . 0.0 111.039 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.651 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -79.6 -170.48 2.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.753 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -144.68 121.99 11.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.476 ' NE2' ' HG3' ' A' ' 108' ' ' PRO . 19.5 t60 -55.62 93.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.606 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.94 69.13 76.62 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.03 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.53 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.4 Cg_endo -74.97 169.32 22.88 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.509 1.794 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.53 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.1 Cg_endo -75.04 -14.66 23.04 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.999 0.02 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 42.0 p -57.05 -91.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.361 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -70.38 146.51 50.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.46 ' CD2' ' HB3' ' A' ' 108' ' ' PRO . 18.1 mt -143.15 165.67 26.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 53.3 t -133.91 127.58 52.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.564 ' CH2' ' HG3' ' A' ' 117' ' ' GLN . 7.7 t90 -91.18 100.45 13.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 108.01 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.1 -46.43 18.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -41.14 -44.81 2.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.564 ' HG3' ' CH2' ' A' ' 114' ' ' TRP . 9.7 mm100 -102.94 173.26 6.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.4 ' HA ' ' HB3' ' A' ' 100' ' ' SER . 3.9 p30 -113.98 -25.2 8.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 14.8 t -160.23 151.23 19.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 110.449 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.494 ' CE2' ' CG2' ' A' ' 52' ' ' VAL . 49.2 m95 -68.65 -44.22 74.6 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . 0.426 ' O ' ' ND2' ' A' ' 73' ' ' ASN . . . 131.88 102.67 0.88 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.531 1.145 . . . . 0.0 111.026 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 17.1 p -84.36 -168.68 2.27 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 118.46 166.57 13.7 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 29.1 p -62.52 -64.4 0.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.944 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.524 ' HA ' ' CG2' ' A' ' 144' ' ' VAL . 33.2 t -84.14 127.84 34.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.035 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -140.42 145.4 36.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 2.5 ttt-85 -142.27 113.32 7.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 23.6 m -111.8 163.65 13.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.398 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -160.69 163.81 32.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.24 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 13.5 tp -128.17 131.93 48.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 24.3 mm -113.26 148.32 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.143 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . 0.435 ' ND2' ' O ' ' A' ' 136' ' ' GLU . 9.0 p30 -99.19 -172.47 2.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.352 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 132' ' ' ASN . 0.5 OUTLIER -37.53 -52.07 1.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.029 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 136' ' ' GLU . 71.1 p -86.2 158.22 19.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.399 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -67.29 63.06 0.24 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.543 1.152 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 134' ' ' THR . 18.6 tt0 -143.14 135.67 27.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 0.755 . . . . 0.0 110.327 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.424 ' HG2' ' N ' ' A' ' 138' ' ' VAL . 2.2 tt0 -79.56 142.6 35.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 37' ' ' SER . 2.2 m -110.78 -34.2 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -143.97 154.59 43.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 24.1 ptm -134.05 148.21 51.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . 0.402 ' NH2' ' HA ' ' A' ' 44' ' ' GLU . 1.8 tpt180 -141.16 98.54 3.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -102.43 136.96 41.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.14 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.71 118.41 9.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.524 ' CG2' ' HA ' ' A' ' 125' ' ' SER . 8.9 p -124.68 149.73 29.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 35.9 ttt180 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 -179.971 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.468 ' CB ' ' HA ' ' A' ' 141' ' ' ARG . . . -100.89 161.99 13.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -165.0 112.85 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.298 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -88.8 147.7 24.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 110.386 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.9 OUTLIER -156.12 82.23 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.013 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.04 -140.74 7.07 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.446 1.091 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.449 ' CG ' ' HB3' ' A' ' 58' ' ' SER . 9.3 mtm180 -97.03 -41.76 8.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 0.761 . . . . 0.0 110.255 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.1 t -90.19 166.58 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -152.09 136.4 16.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.477 ' CG1' HG21 ' A' ' 45' ' ' VAL . 16.5 t -66.09 86.24 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 42' ' ' VAL . 0.7 OUTLIER -37.8 -66.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.317 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -161.91 134.85 6.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.294 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.538 HG23 ' CG1' ' A' ' 52' ' ' VAL . 5.8 t -120.05 116.41 50.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.42 ' OD2' ' N ' ' A' ' 50' ' ' LYS . 21.5 t70 -54.24 116.13 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -54.97 -36.84 65.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.324 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -64.47 -20.35 66.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.325 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.413 ' N ' ' OD2' ' A' ' 46' ' ' ASP . . . 84.24 43.13 7.17 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.555 1.16 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.42 ' N ' ' OD2' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -87.16 -48.63 7.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 0.0 109.322 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.559 ' CD2' ' CZ3' ' A' ' 98' ' ' TRP . 24.0 p90 -156.01 166.73 32.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.538 ' CG1' HG23 ' A' ' 45' ' ' VAL . 45.5 t -121.83 113.07 37.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.28 114.43 26.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.473 ' CD1' HD13 ' A' ' 69' ' ' ILE . 5.6 mt -115.63 127.68 55.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.446 ' CZ ' ' HE2' ' A' ' 57' ' ' LYS . 0.6 OUTLIER -118.6 149.55 41.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.321 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -98.66 137.17 37.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.446 ' HE2' ' CZ ' ' A' ' 55' ' ' ARG . 1.2 mmtp -106.8 -23.75 12.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.449 ' HB3' ' CG ' ' A' ' 39' ' ' ARG . 77.3 p -62.64 151.42 38.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.975 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.439 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 1.5 p30 -81.67 -20.42 39.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -101.26 136.48 41.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.307 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -51.78 130.53 29.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.402 ' NE2' ' CZ2' ' A' ' 67' ' ' TRP . 52.0 tp60 -98.67 114.73 27.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.267 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 74.7 m -74.69 126.23 30.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 110.042 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.444 ' HE1' ' CD2' ' A' ' 83' ' ' PHE . 22.7 mtp -115.06 43.14 2.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 111.033 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -84.33 54.97 4.98 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.447 1.092 . . . . 0.0 110.965 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.496 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER 156.17 -26.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 0.799 . . . . 0.0 109.298 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.411 ' O ' ' HB2' ' A' ' 83' ' ' PHE . 11.5 m0 -44.07 156.35 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 108.0 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.463 ' OE1' ' N ' ' A' ' 68' ' ' GLN . 1.0 OUTLIER -144.49 171.25 14.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.608 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 10.4 mt -129.36 123.48 58.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.254 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.449 ' HG3' ' CG1' ' A' ' 131' ' ' ILE . 26.6 mtt-85 -92.19 135.7 33.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -138.04 116.36 11.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.446 ' C ' ' NE2' ' A' ' 72' ' ' GLN . 0.0 OUTLIER -139.69 86.79 2.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.302 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 55.5 m-20 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 179.996 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.8 tp . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.2 mpp? -116.63 148.06 41.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 111.027 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 82.7 m -134.43 93.5 3.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.389 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.546 ' CE2' HG22 ' A' ' 97' ' ' ILE . 87.4 t80 -74.79 95.06 2.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.41 ' CD ' ' HG2' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -81.61 117.71 22.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.278 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.608 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 21.7 m-85 -64.1 167.91 7.13 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.418 ' O ' ' HA2' ' A' ' 65' ' ' GLY . 18.4 Cg_endo -74.97 149.59 37.08 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.492 1.785 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.421 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.4 Cg_endo -75.02 4.14 5.01 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.546 1.814 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.06 48.33 2.12 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -128.1 142.1 51.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.8 m -141.05 116.58 10.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 110.414 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.406 ' HB2' ' SD ' ' A' ' 64' ' ' MET . 52.3 tp -91.65 91.78 8.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 89' ' ' LEU . 7.2 mtpt -44.49 167.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.439 ' CB ' ' O ' ' A' ' 59' ' ' ASN . . . -78.25 128.98 34.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 81.46 9.68 85.49 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.475 1.11 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -93.04 177.1 6.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 110.286 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 11.9 p -148.83 157.07 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.4 p -143.77 136.07 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 112' ' ' LEU . 23.7 m -108.46 132.75 53.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.391 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.551 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 0.3 OUTLIER -110.66 79.8 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.559 ' CZ3' ' CD2' ' A' ' 51' ' ' PHE . 59.8 m95 -69.65 157.13 37.83 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 102' ' ' ALA . . . -106.74 139.38 41.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.5 t -40.72 -52.2 2.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.011 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -49.85 -41.94 37.0 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.504 1.128 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 99' ' ' ALA . . . -47.69 -62.18 1.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 104.11 28.23 5.93 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -77.55 -165.13 0.56 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 0.782 . . . . 0.0 109.341 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.01 127.75 48.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.4 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.465 ' CD2' ' HG3' ' A' ' 108' ' ' PRO . 14.7 t60 -68.05 93.41 0.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.582 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.18 75.96 59.96 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.994 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.519 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.2 Cg_endo -74.94 168.95 23.69 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.501 1.79 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.519 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -74.97 -18.41 18.76 Favored 'Cis proline' 0 C--N 1.359 1.13 0 C-N-CA 121.016 -2.493 . . . . 0.0 111.019 -0.039 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 37.4 p -54.35 -87.11 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.434 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.439 ' OD1' ' NE1' ' A' ' 98' ' ' TRP . 32.7 m-20 -67.4 136.34 54.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.419 HD22 ' CE1' ' A' ' 106' ' ' HIS . 15.6 mt -142.95 105.11 4.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 53.7 t -79.19 137.75 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.519 ' CD2' ' HB2' ' A' ' 117' ' ' GLN . 5.8 t90 -96.08 99.73 11.45 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.2 mttp -84.26 -43.67 14.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.351 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -44.53 -45.01 9.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.519 ' HB2' ' CD2' ' A' ' 114' ' ' TRP . 0.9 OUTLIER -100.4 173.52 6.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.265 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.448 HD21 ' N ' ' A' ' 119' ' ' THR . 0.3 OUTLIER -110.73 -20.09 12.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.103 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' THR . . . . . 0.448 ' N ' HD21 ' A' ' 118' ' ' ASN . 10.2 t -167.06 165.0 15.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.4 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.516 ' CE2' HG21 ' A' ' 52' ' ' VAL . 34.4 m95 -87.5 -13.21 43.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 108.027 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 89.46 162.4 38.39 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.521 1.138 . . . . 0.0 111.034 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . 0.462 ' HA ' ' CD2' ' A' ' 126' ' ' LEU . 1.5 p -164.39 -175.9 4.13 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 125' ' ' SER . . . 141.68 50.57 0.04 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.541 1.151 . . . . 0.0 110.99 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' SER . . . . . 0.456 ' CB ' ' HB3' ' A' ' 145' ' ' ARG . 1.5 t 65.7 -71.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 109.992 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 123' ' ' GLY . 8.0 t -78.08 124.47 28.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.977 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.462 ' CD2' ' HA ' ' A' ' 122' ' ' CYS . 0.4 OUTLIER -134.94 154.13 51.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -157.43 91.61 1.17 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 110.302 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 19.0 m -96.42 147.97 23.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.391 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -143.06 159.83 41.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 12.2 tp -120.56 130.89 54.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.449 ' CG1' ' HG3' ' A' ' 70' ' ' ARG . 26.0 mm -112.29 147.9 15.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 133' ' ' SER . 8.0 p30 -101.84 -169.48 1.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 132' ' ' ASN . 2.6 p -36.92 -57.19 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.019 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 136' ' ' GLU . 3.7 t -82.1 160.3 23.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 110.402 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -68.74 59.67 0.5 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.554 1.159 . . . . 0.0 111.039 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 134' ' ' THR . 12.7 tt0 -137.84 146.93 44.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 0.786 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.406 ' HG2' ' N ' ' A' ' 138' ' ' VAL . 13.8 tt0 -88.7 140.28 29.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.348 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 37' ' ' SER . 4.4 m -111.79 -28.54 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -147.72 161.4 41.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 26.3 ptm -144.66 156.33 44.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.964 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . 0.468 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 4.1 ttt85 -148.91 88.82 1.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . 0.427 ' HG2' ' N ' ' A' ' 143' ' ' LEU . 10.1 tttt -85.61 150.69 24.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.427 ' N ' ' HG2' ' A' ' 142' ' ' LYS . 0.2 OUTLIER -160.87 114.0 1.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.245 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.419 ' CG2' ' HA ' ' A' ' 125' ' ' SER . 11.9 p -123.18 153.36 28.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . 0.456 ' HB3' ' CB ' ' A' ' 124' ' ' SER . 16.0 ttt85 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.318 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.636 ' CD2' ' N ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.474 ' CB ' ' HA ' ' A' ' 141' ' ' ARG . . . -108.02 158.87 17.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -154.07 117.11 4.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.322 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -91.34 148.48 22.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.397 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 138' ' ' VAL . 3.2 m -156.16 82.46 0.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.013 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 160.0 -139.24 6.01 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.125 . . . . 0.0 110.99 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.495 ' HD3' ' CG ' ' A' ' 60' ' ' GLU . 5.3 mtm-85 -100.83 -41.26 6.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 0.753 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 68.2 t -95.58 158.18 3.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.143 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -141.07 153.16 45.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.453 HG23 ' CD2' ' A' ' 54' ' ' LEU . 98.3 t -77.28 88.88 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.99 -67.4 0.25 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -159.07 125.45 4.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.466 HG21 ' CG1' ' A' ' 52' ' ' VAL . 13.9 t -115.45 102.66 14.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -46.48 112.85 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.117 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -57.74 -38.68 75.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.39 -26.09 28.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.7 63.08 1.49 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.2 mtmm -117.62 -45.31 2.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 0.74 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.477 ' CB ' ' HA ' ' A' ' 98' ' ' TRP . 50.6 p90 -158.05 157.78 33.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.954 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.466 ' CG1' HG21 ' A' ' 45' ' ' VAL . 20.1 t -120.12 114.37 43.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.6 124.99 43.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.453 ' CD2' HG23 ' A' ' 42' ' ' VAL . 26.0 mt -117.96 129.76 55.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.2 ttm180 -119.26 154.68 33.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 37.2 t-20 -102.49 122.73 44.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.4 mmpt? -95.56 -28.27 14.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.571 1.17 . . . . 0.0 109.338 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.28 169.73 2.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.438 1.086 . . . . 0.0 110.016 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -110.25 17.09 21.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.495 ' CG ' ' HD3' ' A' ' 39' ' ' ARG . 2.2 pt-20 -132.16 127.38 35.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 110.334 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -44.93 114.28 0.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.408 ' NE2' ' CZ2' ' A' ' 67' ' ' TRP . 50.4 tp60 -91.78 116.85 29.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.323 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.61 142.97 44.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.047 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.537 ' HE2' ' CE2' ' A' ' 83' ' ' PHE . 0.4 OUTLIER -134.68 34.84 3.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.501 ' O ' ' ND2' ' A' ' 66' ' ' ASN . . . -78.85 56.38 4.26 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER 156.19 -25.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 109.313 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.416 ' CE3' ' SD ' ' A' ' 64' ' ' MET . 13.4 m0 -44.29 163.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 108.022 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -148.28 170.89 16.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.45 ' CD1' ' CE2' ' A' ' 83' ' ' PHE . 4.0 mt -130.95 122.32 51.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.439 1.087 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.6 mtt-85 -96.13 139.08 32.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.26 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -140.68 116.53 10.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.458 ' CG ' ' HB2' ' A' ' 78' ' ' LEU . 16.3 tm0? -140.4 102.87 4.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 23.7 m-20 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.458 ' HB2' ' CG ' ' A' ' 72' ' ' GLN . 4.3 tp . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -106.1 143.71 33.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 43.8 m -123.42 91.19 3.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 110.393 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.574 ' HB2' ' CH2' ' A' ' 114' ' ' TRP . 62.0 t80 -73.29 95.08 2.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 111.032 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -78.8 117.76 20.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.335 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.537 ' CE2' ' HE2' ' A' ' 64' ' ' MET . 22.0 m-85 -63.06 167.12 6.68 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.431 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.1 Cg_endo -75.04 146.95 33.11 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.499 1.789 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.423 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.3 Cg_endo -74.97 15.63 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.477 1.777 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.431 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.0 OUTLIER -135.21 40.88 2.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -124.93 150.02 47.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -154.91 114.41 3.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.376 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 36.8 tp -83.79 100.07 10.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.33 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.9 mtpt -51.3 171.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.75 126.0 30.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 79.35 10.32 86.09 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.439 1.087 . . . . 0.0 110.961 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.94 173.9 8.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 0.79 . . . . 0.0 110.243 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.7 p -146.52 157.17 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.1 p -145.42 147.65 18.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 28.6 m -122.65 126.08 46.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 110.414 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.415 HD11 ' N ' ' A' ' 97' ' ' ILE . 3.9 mp -113.47 83.84 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.495 ' CG ' ' CB ' ' A' ' 104' ' ' ALA . 46.1 m95 -64.68 161.22 18.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 107.98 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 102' ' ' ALA . . . -103.14 139.32 38.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.43 ' HB3' ' O ' ' A' ' 117' ' ' GLN . 9.4 t -37.52 -47.95 0.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 109.955 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 118' ' ' ASN . . . -57.17 -48.17 81.97 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.528 1.142 . . . . 0.0 111.03 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 99' ' ' ALA . . . -40.63 -54.47 2.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 0.779 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 89.42 23.68 33.36 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.553 1.158 . . . . 0.0 111.017 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.495 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -60.07 -160.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 0.747 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -125.76 113.51 17.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.403 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -56.05 111.51 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.614 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.462 ' CB ' ' HB2' ' A' ' 111' ' ' ASP . 0.5 OUTLIER -144.52 66.29 13.58 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.981 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.524 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.1 Cg_endo -75.07 169.29 22.92 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.477 1.777 . . . . 0.0 111.015 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.524 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.4 Cg_endo -74.95 -13.41 23.52 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 120.995 -2.502 . . . . 0.0 111.058 -0.037 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' A' ' 107' ' ' SER . 42.3 p -56.01 -74.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.385 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.462 ' HB2' ' CB ' ' A' ' 107' ' ' SER . 37.4 m-20 -83.41 150.3 26.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.453 ' CD2' ' HB3' ' A' ' 108' ' ' PRO . 28.2 mt -146.12 147.59 31.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 55.1 t -124.1 120.42 59.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.656 ' CG ' ' HG3' ' A' ' 117' ' ' GLN . 5.8 t90 -83.26 97.31 8.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 107.987 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 116' ' ' ALA . 7.9 mtmt -76.31 -45.23 33.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 115' ' ' LYS . . . -36.81 -69.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.656 ' HG3' ' CG ' ' A' ' 114' ' ' TRP . 0.0 OUTLIER -76.2 175.28 9.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.273 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 101' ' ' GLY . 0.0 OUTLIER -115.35 -24.67 8.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' THR . . . . . 0.48 ' C ' ' NE2' ' A' ' 117' ' ' GLN . 6.5 t -160.59 123.07 3.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.422 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.509 ' N ' ' NE2' ' A' ' 117' ' ' GLN . 32.4 m95 -40.79 -46.94 2.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 108.006 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 138.18 138.61 3.73 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 1.4 p -120.99 -176.35 3.25 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 124.62 153.18 8.51 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.514 1.134 . . . . 0.0 111.023 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 33.1 p -57.86 -31.05 66.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 0.793 . . . . 0.0 110.015 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 36.9 p -111.28 119.19 38.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.02 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.02 156.3 49.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.29 112.83 2.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 11.4 m -108.16 153.03 23.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.383 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -146.6 158.68 43.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 14.2 tp -123.02 131.84 53.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 23.1 mm -113.56 150.24 15.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 133' ' ' SER . 13.1 p30 -102.74 -168.06 1.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.248 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.485 ' OG ' ' N ' ' A' ' 134' ' ' THR . 1.0 OUTLIER -36.24 -64.1 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 110.025 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.485 ' N ' ' OG ' ' A' ' 133' ' ' SER . 14.7 t -81.57 163.69 22.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.386 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -67.4 64.5 0.26 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 134' ' ' THR . 11.8 tt0 -140.07 133.13 29.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 110.279 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -78.83 146.79 33.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.324 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 37' ' ' SER . 1.0 OUTLIER -116.43 -36.01 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -146.02 160.48 41.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 22.0 ptm -148.24 153.58 38.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . 0.474 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 9.3 ttm180 -140.64 94.45 2.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . 0.519 ' HB3' ' CD2' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -83.83 158.48 21.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.361 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -155.67 107.73 2.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.5 HG22 ' CE1' ' A' ' 33' ' ' HIS . 21.2 t -115.98 118.89 60.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 110.324 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -100.06 160.17 14.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.23 106.16 1.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.309 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -87.36 148.88 24.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.384 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.2 OUTLIER -156.11 82.2 1.0 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.999 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 161.81 -145.92 11.45 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.452 1.095 . . . . 0.0 111.036 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.457 ' NE ' ' CD ' ' A' ' 60' ' ' GLU . 7.1 mtm-85 -94.46 -44.61 7.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 0.782 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 75.2 t -93.79 153.19 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.465 ' CB ' ' HD3' ' A' ' 57' ' ' LYS . . . -139.21 149.93 44.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.456 ' CG1' ' CG2' ' A' ' 45' ' ' VAL . 66.4 t -72.16 85.97 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 42' ' ' VAL . 7.4 tm-20 -37.46 -64.73 0.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -159.15 132.76 7.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.314 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.461 HG23 ' CG1' ' A' ' 52' ' ' VAL . 6.9 t -124.56 115.53 44.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -58.01 117.28 4.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.402 ' HB2' ' CD1' ' A' ' 126' ' ' LEU . 6.5 pt-20 -58.89 -39.11 80.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.103 . . . . 0.0 110.307 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.4 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -54.54 -27.63 39.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.31 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.23 59.6 1.74 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.512 1.132 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.466 ' HD2' ' CB ' ' A' ' 102' ' ' ALA . 0.5 OUTLIER -112.02 -43.63 3.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.275 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.575 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 41.9 p90 -158.31 157.8 33.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.461 ' CG1' HG23 ' A' ' 45' ' ' VAL . 42.0 t -119.45 117.01 52.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.15 127.58 49.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.448 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 4.3 mt -124.02 142.74 50.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.475 ' CG ' HG22 ' A' ' 94' ' ' VAL . 26.9 ttp85 -131.74 148.76 52.6 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -100.95 111.22 23.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.465 ' HD3' ' CB ' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -77.5 -33.84 54.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 m -58.2 158.47 7.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.041 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -98.66 15.82 23.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.457 ' CD ' ' NE ' ' A' ' 39' ' ' ARG . 2.4 pt-20 -119.59 154.68 33.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.345 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -72.37 115.05 11.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.408 ' CD ' ' CZ2' ' A' ' 67' ' ' TRP . 42.0 tp60 -92.02 115.76 28.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.9 m -79.22 125.6 29.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.023 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.554 ' HA ' ' CD1' ' A' ' 67' ' ' TRP . 45.1 mtp -116.35 34.15 5.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.466 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -78.18 52.81 3.76 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.512 1.132 . . . . 0.0 111.026 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER 158.98 -26.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 0.741 . . . . 0.0 109.279 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.554 ' CD1' ' HA ' ' A' ' 64' ' ' MET . 11.0 m0 -42.05 157.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.46 ' OE1' ' N ' ' A' ' 68' ' ' GLN . 2.2 mp0 -143.16 167.15 22.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.353 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.576 HD13 ' CZ ' ' A' ' 83' ' ' PHE . 2.5 mt -129.41 121.47 53.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.89 134.29 39.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.239 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.506 ' CZ ' ' O ' ' A' ' 120' ' ' TRP . 9.9 tpt180 -129.99 118.46 21.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.439 ' CB ' ' HG ' ' A' ' 78' ' ' LEU . 13.3 tm0? -125.6 126.36 44.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.448 ' ND2' ' C ' ' A' ' 121' ' ' GLY . 1.9 m120 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.439 ' HG ' ' CB ' ' A' ' 72' ' ' GLN . 1.6 tt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.96 147.73 27.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 38.0 m -131.19 99.08 4.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.392 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.573 ' CE2' HG21 ' A' ' 97' ' ' ILE . 88.1 t80 -85.61 93.41 8.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.59 117.22 20.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.576 ' CZ ' HD13 ' A' ' 69' ' ' ILE . 26.9 m-85 -63.15 165.93 9.51 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.964 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.482 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.3 Cg_endo -75.04 145.38 31.24 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.544 1.813 . . . . 0.0 110.979 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.443 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.3 Cg_endo -74.98 21.98 0.42 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.491 1.785 . . . . 0.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.482 ' H ' ' C ' ' A' ' 84' ' ' PRO . 1.3 mmmp? -138.81 37.13 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -128.86 140.46 51.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.82 112.55 7.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 110.404 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 90' ' ' LYS . 40.2 tp -80.4 95.78 6.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 89' ' ' LEU . 8.2 mtpt -47.62 173.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.444 ' O ' ' NE2' ' A' ' 93' ' ' GLN . . . -82.41 136.94 34.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.87 2.94 58.52 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 91' ' ' ALA . 0.5 OUTLIER -86.98 176.31 7.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 0.796 . . . . 0.0 110.288 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.475 HG22 ' CG ' ' A' ' 55' ' ' ARG . 18.0 t -149.29 143.65 18.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.3 p -130.13 140.76 48.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 112' ' ' LEU . 56.1 m -116.13 133.91 55.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.396 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.573 HG21 ' CE2' ' A' ' 81' ' ' TYR . 4.3 mp -119.7 86.01 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.575 ' CE3' ' HB3' ' A' ' 51' ' ' PHE . 47.8 m95 -71.08 167.47 19.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 108.008 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 100' ' ' SER . . . -105.71 145.32 31.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 99' ' ' ALA . 4.1 t -38.06 -45.8 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.998 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -104.71 73.8 0.24 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.483 1.114 . . . . 0.0 110.981 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.466 ' CB ' ' HD2' ' A' ' 50' ' ' LYS . . . -152.22 23.35 0.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 41.49 42.74 3.59 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.512 1.132 . . . . 0.0 110.953 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.555 ' CB ' ' CB ' ' A' ' 98' ' ' TRP . . . -96.17 -176.45 3.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 0.765 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -142.05 112.34 7.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.407 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.495 ' HD1' ' N ' ' A' ' 113' ' ' VAL . 7.7 t60 -52.57 109.69 0.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.572 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.469 ' CB ' ' HB2' ' A' ' 111' ' ' ASP . 0.3 OUTLIER -140.34 66.41 29.94 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.519 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.1 Cg_endo -75.02 169.13 23.29 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.538 1.81 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.519 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -74.98 -11.0 24.22 Favored 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 121.047 -2.48 . . . . 0.0 111.013 0.035 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 107' ' ' SER . 33.3 p -59.96 -85.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 110.417 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.469 ' HB2' ' CB ' ' A' ' 107' ' ' SER . 26.5 m-20 -74.66 146.98 41.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.486 ' CD2' ' HB3' ' A' ' 108' ' ' PRO . 22.9 mt -140.38 161.29 38.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.495 ' N ' ' HD1' ' A' ' 106' ' ' HIS . 46.9 t -128.67 128.72 68.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.487 ' CD2' ' HB2' ' A' ' 117' ' ' GLN . 4.8 t90 -87.33 107.86 18.71 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.32 -36.23 16.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -54.89 -48.56 72.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.487 ' HB2' ' CD2' ' A' ' 114' ' ' TRP . 0.7 OUTLIER -100.13 172.97 6.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -113.45 -19.83 11.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 10.5 t -158.81 166.74 31.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.416 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.506 ' O ' ' CZ ' ' A' ' 71' ' ' ARG . 54.6 m95 -94.95 34.88 1.31 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 108.007 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . 0.448 ' C ' ' ND2' ' A' ' 73' ' ' ASN . . . 67.2 146.23 0.09 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 1.5 p -128.97 -175.11 3.45 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 119.08 157.98 10.55 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.525 1.141 . . . . 0.0 110.96 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 145' ' ' ARG . 4.2 p -56.08 -49.08 74.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 0.752 . . . . 0.0 109.967 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.524 ' HA ' ' CG2' ' A' ' 144' ' ' VAL . 4.3 m -94.18 125.14 38.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.031 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.402 ' CD1' ' HB2' ' A' ' 47' ' ' GLU . 0.8 OUTLIER -134.31 155.48 50.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.19 123.35 5.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.301 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 51.8 m -119.64 153.23 35.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.379 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -153.08 158.78 42.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 13.9 tp -122.41 129.7 52.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.418 ' O ' ' OE1' ' A' ' 68' ' ' GLN . 20.5 mm -113.61 122.51 67.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.273 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 133' ' ' SER . 9.9 p30 -74.74 -174.25 2.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.241 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 132' ' ' ASN . 1.0 OUTLIER -35.13 -61.18 0.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.959 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 136' ' ' GLU . 51.8 p -76.91 160.11 29.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.42 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -68.41 59.49 0.44 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.478 1.111 . . . . 0.0 111.053 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 134' ' ' THR . 12.5 tt0 -137.24 140.46 41.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 0.771 . . . . 0.0 110.277 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.407 ' HG2' ' N ' ' A' ' 138' ' ' VAL . 24.9 tt0 -83.88 145.04 28.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 37' ' ' SER . 1.6 m -114.16 -39.05 2.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -144.66 162.78 35.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 15.6 ptm -146.64 153.37 40.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . 0.4 ' HD2' ' CG1' ' A' ' 42' ' ' VAL . 20.8 ttm-85 -141.81 93.08 2.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -88.69 149.02 23.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -158.2 114.86 2.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.524 ' CG2' ' HA ' ' A' ' 125' ' ' SER . 5.3 p -123.44 153.2 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 124' ' ' SER . 64.3 ttt180 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.301 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.449 ' CB ' ' HA ' ' A' ' 141' ' ' ARG . . . -101.61 157.82 16.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -155.75 110.56 2.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.9 147.12 28.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 110.414 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.2 OUTLIER -156.25 81.78 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.977 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.38 -131.81 2.84 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -107.66 -40.84 5.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 0.77 . . . . 0.0 110.33 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.424 ' CG1' ' N ' ' A' ' 41' ' ' ALA . 99.3 t -91.53 166.33 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.424 ' N ' ' CG1' ' A' ' 40' ' ' VAL . . . -152.31 137.65 17.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.443 ' CG1' HG23 ' A' ' 45' ' ' VAL . 41.9 t -66.28 89.31 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.77 -67.57 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.273 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -158.96 133.97 8.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.443 HG23 ' CG1' ' A' ' 42' ' ' VAL . 11.4 t -123.09 121.07 62.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.52 ' CG ' ' CE1' ' A' ' 51' ' ' PHE . 5.5 m-20 -57.93 116.46 3.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.429 ' HB3' ' CD2' ' A' ' 143' ' ' LEU . 6.9 pt-20 -48.98 -40.24 29.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.286 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -62.68 -37.36 86.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.472 ' CA ' ' HB2' ' A' ' 120' ' ' TRP . . . 101.37 38.19 3.34 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.99 -38.04 23.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 0.767 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.52 ' CE1' ' CG ' ' A' ' 46' ' ' ASP . 43.8 p90 -162.35 159.51 25.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.521 HG22 ' CE2' ' A' ' 120' ' ' TRP . 42.4 t -123.22 115.6 46.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -100.5 122.98 44.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.479 ' CD1' HD13 ' A' ' 69' ' ' ILE . 6.0 mt -116.73 135.61 53.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -123.5 151.19 43.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 110.288 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -103.26 129.26 50.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -102.67 -15.8 16.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.0 t -66.47 170.56 5.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.018 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.473 ' C ' ' CB ' ' A' ' 91' ' ' ALA . 2.9 p30 -101.41 -25.19 14.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -100.13 137.04 39.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -46.03 138.69 4.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.321 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 89' ' ' LEU . 49.6 tp60 -103.97 119.17 38.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.281 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 39.6 p -82.18 117.68 22.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.991 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.466 ' HE2' ' CD2' ' A' ' 83' ' ' PHE . 20.4 mtp -112.59 45.38 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.513 ' O ' ' ND2' ' A' ' 66' ' ' ASN . . . -86.93 55.43 4.62 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.533 1.145 . . . . 0.0 110.974 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.513 ' ND2' ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER 154.9 -23.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.762 . . . . 0.0 109.306 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.412 ' O ' ' O ' ' A' ' 66' ' ' ASN . 11.1 m0 -44.45 165.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.407 ' CG ' ' C ' ' A' ' 67' ' ' TRP . 3.7 mt-30 -152.07 169.07 23.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.607 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 8.4 mt -129.58 125.75 61.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.69 135.98 40.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.469 ' HB3' ' CG ' ' A' ' 79' ' ' MET . 4.8 tpp180 -134.97 104.43 5.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.87 141.15 36.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.137 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.3 tp . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.625 ' SD ' ' CH2' ' A' ' 114' ' ' TRP . 17.1 ptp -112.83 151.21 30.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 57.4 m -132.83 97.35 4.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.407 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.585 ' HB2' ' CH2' ' A' ' 114' ' ' TRP . 77.9 t80 -75.99 96.35 3.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.5 ttt180 -80.06 128.62 33.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.271 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.607 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 14.6 m-85 -76.33 166.14 47.3 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.501 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.2 Cg_endo -75.0 146.49 32.69 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.55 1.816 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.405 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.4 Cg_endo -74.98 23.83 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.463 1.77 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.501 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.0 OUTLIER -142.05 30.03 1.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -113.24 151.06 31.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.2 m -155.0 113.16 3.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.459 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 62' ' ' GLN . 49.1 tp -86.44 95.81 9.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.0 mtpt -48.47 164.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.473 ' CB ' ' C ' ' A' ' 59' ' ' ASN . . . -76.84 133.72 39.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.86 6.34 87.12 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -95.07 173.27 7.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 0.768 . . . . 0.0 110.284 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.41 HG22 ' N ' ' A' ' 95' ' ' VAL . 8.1 p -141.93 158.66 20.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.465 ' CG2' ' O ' ' A' ' 110' ' ' THR . 14.1 p -144.78 149.67 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.472 HG22 ' CE2' ' A' ' 98' ' ' TRP . 33.5 m -122.74 131.04 53.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 110.368 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.427 HG22 ' CE2' ' A' ' 81' ' ' TYR . 4.6 mp -116.59 79.78 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.486 ' CG ' ' CB ' ' A' ' 104' ' ' ALA . 53.7 m95 -64.5 160.62 18.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 107.979 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 102' ' ' ALA . . . -108.51 139.6 43.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 99' ' ' ALA . 4.6 t -36.4 -54.64 0.84 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.995 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 118' ' ' ASN . . . -47.98 -46.82 26.31 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.52 1.137 . . . . 0.0 111.068 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 99' ' ' ALA . . . -47.12 -57.84 4.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 93.16 22.9 26.2 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.486 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -58.88 -160.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -125.53 116.36 21.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 110.388 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -58.4 111.4 1.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 109.601 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.501 ' CB ' ' HB2' ' A' ' 111' ' ' ASP . 0.3 OUTLIER -142.73 68.8 19.58 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.028 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.523 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.4 Cg_endo -75.0 169.38 22.75 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.523 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.2 Cg_endo -75.0 -10.85 24.25 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 121.011 -2.495 . . . . 0.0 111.006 -0.006 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.465 ' O ' ' CG2' ' A' ' 95' ' ' VAL . 33.0 p -59.75 -82.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.412 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.501 ' HB2' ' CB ' ' A' ' 107' ' ' SER . 71.3 m-20 -72.03 147.71 46.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.481 ' CD2' ' HB3' ' A' ' 108' ' ' PRO . 45.7 mt -146.23 144.89 30.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 40.6 t -119.9 116.27 49.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.247 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.658 ' CG ' ' HG3' ' A' ' 117' ' ' GLN . 6.1 t90 -82.02 103.27 11.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 108.019 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.465 ' O ' ' C ' ' A' ' 116' ' ' ALA . 35.2 mttt -82.89 -47.1 12.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.465 ' C ' ' O ' ' A' ' 115' ' ' LYS . . . -35.19 -51.49 0.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.658 ' HG3' ' CG ' ' A' ' 114' ' ' TRP . 0.0 OUTLIER -98.63 176.03 5.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.31 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 101' ' ' GLY . 0.3 OUTLIER -116.64 -30.79 5.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.158 . . . . 0.0 109.285 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' THR . . . . . 0.482 ' C ' ' NE2' ' A' ' 117' ' ' GLN . 9.3 t -152.98 127.95 9.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 110.411 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.521 ' CE2' HG22 ' A' ' 52' ' ' VAL . 40.0 m95 -43.76 -42.79 5.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 107.986 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 133.78 115.33 1.58 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.454 1.097 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 2.7 m -93.78 -179.2 4.92 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 130.75 155.2 8.17 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.532 1.145 . . . . 0.0 110.984 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 90.4 p -61.72 -43.43 98.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.988 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 43.0 t -99.63 117.25 33.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.013 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.13 150.65 50.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.411 1.07 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -154.21 104.22 2.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.264 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.423 HG22 ' N ' ' A' ' 129' ' ' ALA . 18.6 m -96.07 163.71 13.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.428 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ALA . . . . . 0.423 ' N ' HG22 ' A' ' 128' ' ' THR . . . -159.24 162.75 36.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 13.5 tp -126.06 133.34 51.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.243 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.409 ' CD1' ' HA ' ' A' ' 137' ' ' GLU . 32.0 mm -116.5 147.49 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' ASN . . . . . 0.405 ' OD1' ' N ' ' A' ' 134' ' ' THR . 14.5 p30 -97.34 -171.63 2.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.407 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . 0.0 OUTLIER -41.53 -48.12 3.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.98 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 136' ' ' GLU . 15.4 p -89.11 157.93 18.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.38 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -66.5 64.57 0.17 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.524 1.14 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 134' ' ' THR . 10.2 tt0 -143.96 138.02 28.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 0.785 . . . . 0.0 110.313 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.409 ' HA ' ' CD1' ' A' ' 131' ' ' ILE . 6.8 tt0 -81.69 146.09 30.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 37' ' ' SER . 0.9 OUTLIER -116.25 -37.54 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -141.12 158.35 44.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 18.1 ptm -139.82 151.85 46.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 111.029 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . 0.449 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 13.8 ttm-85 -141.5 84.58 1.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 62.9 tttt -79.41 152.24 30.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.429 ' CD2' ' HB3' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -158.03 118.54 3.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.345 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 2.6 t -127.54 126.89 68.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 25.9 ttt180 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 110.292 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.1 p -176.27 159.03 1.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 110.005 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -176.57 163.58 2.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.015 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.17 -155.14 25.95 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.445 1.091 . . . . 0.0 110.94 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.4 t 67.15 147.94 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 110.0 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.88 148.97 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.016 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.55 118.25 1.24 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -169.65 135.13 1.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 0.743 . . . . 0.0 110.312 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.7 t -178.97 113.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.001 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -162.72 152.16 15.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 164.57 159.51 11.21 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.43 1.081 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 164.64 135.16 1.77 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 141.69 136.23 3.23 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 t -166.86 165.77 15.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 0.79 . . . . 0.0 110.008 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 95.9 t -122.44 104.89 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.0 m -122.32 144.72 48.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.427 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.85 163.49 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.23 49.68 1.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.9 mtt-85 62.81 91.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 66.17 178.0 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -165.9 108.99 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.25 -69.67 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.6 t 61.49 100.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.977 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.75 176.92 4.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 110.041 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 61.88 137.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.2 -56.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 110.009 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.7 ttp85 -144.92 164.73 30.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 110.256 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.0 t -141.98 113.44 7.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.022 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 30' ' ' PHE . 2.2 m -116.95 86.26 2.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.998 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.599 ' CE2' ' CD ' ' A' ' 47' ' ' GLU . 8.5 m-30 58.83 149.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.981 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.472 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 5.7 t -68.23 70.99 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.016 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.493 ' O ' ' CG ' ' A' ' 33' ' ' HIS . 51.9 mt-30 -44.74 152.22 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.493 ' CG ' ' O ' ' A' ' 32' ' ' GLN . 64.4 m-70 -160.55 79.23 0.64 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.622 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -103.25 158.35 16.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.71 99.79 1.88 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.127 . . . . 0.0 110.28 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -79.07 148.11 32.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.418 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.2 OUTLIER -156.25 82.16 0.99 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.988 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 157.77 -133.76 3.64 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.471 ' CG ' ' HB3' ' A' ' 58' ' ' SER . 4.4 mtm180 -108.1 -41.12 5.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 0.802 . . . . 0.0 110.321 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.457 HG13 ' CD2' ' A' ' 89' ' ' LEU . 61.4 t -91.42 144.29 9.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.438 ' N ' HG12 ' A' ' 40' ' ' VAL . . . -132.96 143.37 49.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.448 ' HA ' ' CD2' ' A' ' 54' ' ' LEU . 59.9 t -70.49 88.38 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -40.39 -67.23 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.272 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -159.77 132.39 6.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.319 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.482 HG22 ' CG1' ' A' ' 52' ' ' VAL . 8.0 t -120.95 112.29 35.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -53.32 118.62 3.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.599 ' CD ' ' CE2' ' A' ' 30' ' ' PHE . 5.0 pt-20 -53.88 -37.43 63.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.406 ' O ' ' SG ' ' A' ' 122' ' ' CYS . 18.4 mt-10 -62.57 -24.72 67.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.23 33.04 12.38 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.503 1.127 . . . . 0.0 111.052 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.3 mtmm -77.87 -44.42 27.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 0.747 . . . . 0.0 109.327 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.557 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 48.3 p90 -158.34 160.42 36.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.482 ' CG1' HG22 ' A' ' 45' ' ' VAL . 46.6 t -121.92 112.97 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.95 121.18 37.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.448 ' CD2' ' HA ' ' A' ' 42' ' ' VAL . 31.2 mt -117.41 129.47 55.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.421 ' CZ ' ' HE2' ' A' ' 57' ' ' LYS . 0.5 OUTLIER -121.25 150.06 41.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -96.78 142.85 28.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.421 ' HE2' ' CZ ' ' A' ' 55' ' ' ARG . 5.7 mmtt -110.04 -25.31 10.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.471 ' HB3' ' CG ' ' A' ' 39' ' ' ARG . 62.2 p -64.53 169.14 5.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.982 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -105.31 -11.39 16.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.157 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 61' ' ' ASP . 7.2 mt-10 -105.22 126.2 51.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.447 ' OD2' ' CE ' ' A' ' 90' ' ' LYS . 0.2 OUTLIER -40.35 127.68 2.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 89' ' ' LEU . 56.1 tp60 -99.48 128.73 45.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.33 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 74.3 p -91.31 124.07 35.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.996 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.568 ' HA ' ' CD1' ' A' ' 67' ' ' TRP . 0.3 OUTLIER -116.96 45.36 1.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.516 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -86.18 58.15 4.75 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.446 1.091 . . . . 0.0 111.056 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.516 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER 154.62 -23.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 0.77 . . . . 0.0 109.332 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.568 ' CD1' ' HA ' ' A' ' 64' ' ' MET . 11.8 m0 -43.88 163.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 131' ' ' ILE . 5.9 mt-30 -151.86 167.04 29.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.513 HD13 ' CZ ' ' A' ' 83' ' ' PHE . 4.0 mt -127.62 122.56 59.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.3 mtt-85 -91.3 121.26 32.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.416 1.073 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.412 ' NH1' ' OG1' ' A' ' 128' ' ' THR . 17.3 tpt180 -116.85 112.13 20.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 110.28 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.409 ' O ' ' CB ' ' A' ' 127' ' ' ARG . 0.4 OUTLIER -130.43 110.26 11.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.292 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -127.41 137.72 52.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 37.64 -156.33 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.115 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -88.88 77.72 7.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 0.785 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.441 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 0.1 OUTLIER -138.53 175.12 3.56 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.441 ' CD ' ' CB ' ' A' ' 76' ' ' ASP . 18.2 Cg_endo -75.03 113.51 3.81 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.456 1.767 . . . . 0.0 110.979 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.9 tp -61.67 124.6 21.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -107.03 130.45 54.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 16.9 m -110.42 95.2 5.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.369 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.49 ' CD2' HD11 ' A' ' 69' ' ' ILE . 57.0 t80 -72.0 97.32 1.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -80.67 118.13 21.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.137 . . . . 0.0 110.31 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.513 ' CZ ' HD13 ' A' ' 69' ' ' ILE . 17.7 m-85 -63.61 167.69 6.74 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.411 ' O ' ' HA2' ' A' ' 65' ' ' GLY . 18.3 Cg_endo -74.99 148.78 35.81 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.464 1.771 . . . . 0.0 110.982 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.419 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.2 Cg_endo -75.0 4.65 4.55 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.51 1.795 . . . . 0.0 111.03 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.53 50.14 2.04 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -128.72 143.76 51.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.6 m -143.67 112.21 6.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.44 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.457 ' CD2' HG13 ' A' ' 40' ' ' VAL . 47.9 tp -87.52 93.61 9.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.447 ' CE ' ' OD2' ' A' ' 61' ' ' ASP . 12.7 mtpt -47.34 168.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.6 135.59 39.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 70.65 7.5 61.45 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.77 173.36 10.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 0.753 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.404 HG21 ' N ' ' A' ' 95' ' ' VAL . 14.1 p -145.21 155.9 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.256 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.421 HG21 ' N ' ' A' ' 96' ' ' THR . 10.3 p -144.31 147.12 19.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 112' ' ' LEU . 21.6 m -122.12 122.98 40.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.386 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 4.0 mp -108.25 84.72 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.347 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.557 ' CE3' ' HB3' ' A' ' 51' ' ' PHE . 69.7 m95 -69.24 164.37 22.89 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 100' ' ' SER . . . -105.66 145.2 31.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.257 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 99' ' ' ALA . 1.8 t -38.4 -55.03 1.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.013 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -95.55 75.79 0.85 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.506 1.129 . . . . 0.0 110.951 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 103' ' ' GLY . . . -156.81 25.79 0.33 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 0.77 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 102' ' ' ALA . . . 36.58 53.28 1.4 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.463 1.102 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.515 ' HB2' ' CG ' ' A' ' 98' ' ' TRP . . . -101.35 -168.0 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.775 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -149.49 107.45 3.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.409 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.533 ' HD1' ' N ' ' A' ' 113' ' ' VAL . 7.1 t60 -48.74 107.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.598 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.472 ' CB ' ' HB2' ' A' ' 111' ' ' ASP . 0.4 OUTLIER -139.31 65.46 34.88 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.036 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.508 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.1 Cg_endo -75.04 168.87 23.85 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.525 1.803 . . . . 0.0 110.977 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.508 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.4 Cg_endo -74.95 -14.82 22.76 Favored 'Cis proline' 0 C--N 1.359 1.125 0 C-N-CA 121.061 -2.475 . . . . 0.0 111.003 -0.017 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.48 ' OG1' ' N ' ' A' ' 111' ' ' ASP . 68.0 p -55.68 -81.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 110.415 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.48 ' N ' ' OG1' ' A' ' 110' ' ' THR . 5.4 m-20 -79.48 149.14 31.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.468 HD23 ' CE1' ' A' ' 106' ' ' HIS . 24.7 mt -140.56 163.55 32.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.533 ' N ' ' HD1' ' A' ' 106' ' ' HIS . 53.4 t -132.34 112.89 20.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.504 ' CE2' ' HB2' ' A' ' 117' ' ' GLN . 6.8 t90 -75.32 97.19 3.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 107.982 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.83 -46.34 18.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -39.93 -56.07 1.89 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.504 ' HB2' ' CE2' ' A' ' 114' ' ' TRP . 1.2 mm100 -90.14 176.17 6.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.342 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -109.81 -22.68 11.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' THR . . . . . 0.408 ' HA ' ' CB ' ' A' ' 99' ' ' ALA . 14.2 t -174.9 143.85 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.406 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 70.3 m95 -54.13 -46.06 72.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 107.985 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 132.07 142.2 4.88 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 48' ' ' GLU . 2.9 m -111.4 -176.39 2.93 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 126.33 158.63 9.96 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.477 1.111 . . . . 0.0 111.038 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 4.6 p -59.45 -53.04 62.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 0.743 . . . . 0.0 109.993 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.5 m -95.02 125.07 39.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.949 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -134.89 151.21 50.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.409 ' CB ' ' O ' ' A' ' 72' ' ' GLN . 7.1 ttt-85 -139.12 121.04 15.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.32 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.412 ' OG1' ' NH1' ' A' ' 71' ' ' ARG . 24.1 m -131.62 114.31 14.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.405 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -122.33 162.82 20.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.478 HD21 ' CG2' ' A' ' 138' ' ' VAL . 14.3 tp -115.85 127.83 55.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 68' ' ' GLN . 26.5 mm -114.83 116.48 52.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 133' ' ' SER . 16.0 p30 -66.08 -174.15 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 132' ' ' ASN . 0.0 OUTLIER -37.48 -61.67 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.031 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 136' ' ' GLU . 70.7 p -75.07 161.3 29.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.419 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -68.49 58.64 0.46 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 134' ' ' THR . 18.7 tt0 -136.41 136.95 39.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 0.746 . . . . 0.0 110.271 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -84.77 139.44 31.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 110.284 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.478 ' CG2' HD21 ' A' ' 130' ' ' LEU . 1.6 m -109.15 -40.29 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -140.01 146.45 39.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.26 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 19.8 ptm -128.78 152.18 48.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.418 ' HD3' ' CG1' ' A' ' 42' ' ' VAL . 0.8 OUTLIER -146.97 95.26 2.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 32.5 tttt -98.8 153.17 18.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -148.06 123.79 10.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 31' ' ' SER . 11.7 t -125.28 123.76 65.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . 0.563 ' HA ' ' CD1' ' A' ' 30' ' ' PHE . 27.3 ttt85 -77.46 144.97 37.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.275 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.67 78.78 3.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.025 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -93.39 -177.67 40.12 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.544 1.152 . . . . 0.0 110.991 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 154.63 42.49 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.521 1.801 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.2 t -90.79 151.06 21.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 110.007 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 78.3 p -66.8 128.67 37.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.026 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.462 1.101 . . . . 0.0 110.979 -179.947 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.24 141.23 58.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 0.778 . . . . 0.0 110.006 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.23 164.32 13.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.955 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.92 166.83 38.72 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.534 1.147 . . . . 0.0 110.971 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.32 147.88 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 0.0 109.983 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -176.35 156.37 1.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.965 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.82 161.33 24.91 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.524 1.14 . . . . 0.0 111.026 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -158.66 124.88 4.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 0.773 . . . . 0.0 110.339 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.2 t -68.6 122.59 18.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 110.059 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -66.63 148.62 51.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 133.27 93.55 0.52 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.134 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -114.29 -134.62 5.84 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 53.0 65.67 3.22 Favored Glycine 0 CA--C 1.529 0.953 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.2 p -102.35 163.07 12.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 0.741 . . . . 0.0 109.936 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.8 t -98.01 92.26 2.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.113 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.0 t -85.13 117.64 24.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.401 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.1 155.89 0.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.26 135.26 39.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.25 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.85 87.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.469 1.106 . . . . 0.0 110.298 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -64.6 141.01 58.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.081 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -137.21 153.57 50.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.92 114.38 18.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.25 146.39 46.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.32 114.91 2.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.979 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -61.63 143.82 55.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.14 . . . . 0.0 110.296 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.7 t 57.22 107.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 109.99 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.1 ttt85 64.92 121.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.147 . . . . 0.0 110.308 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.3 p -116.78 -54.7 2.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.408 ' O ' ' O ' ' A' ' 30' ' ' PHE . 19.4 m 47.42 94.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.583 ' CD2' ' OE1' ' A' ' 47' ' ' GLU . 8.8 m-30 58.14 153.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 144' ' ' VAL . 3.8 t -69.5 68.32 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -45.86 141.5 3.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.268 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -149.56 74.3 1.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.653 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -97.62 161.69 13.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -164.12 115.92 1.34 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -92.91 146.78 23.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.394 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 138' ' ' VAL . 4.8 m -156.14 81.91 0.99 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.003 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.25 -138.0 5.43 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.419 ' CB ' ' HB2' ' A' ' 58' ' ' SER . 32.5 mtm180 -102.25 -42.44 6.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.762 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.41 HG23 ' CD2' ' A' ' 89' ' ' LEU . 95.6 t -91.66 152.39 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 43' ' ' GLU . . . -139.01 132.98 31.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 43' ' ' GLU . 81.1 t -58.72 86.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -38.68 -59.88 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.308 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -168.2 128.02 1.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.0 t -118.0 111.81 35.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -55.64 113.08 1.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.583 ' OE1' ' CD2' ' A' ' 30' ' ' PHE . 4.5 pt-20 -54.63 -34.23 61.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.438 1.086 . . . . 0.0 110.281 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -57.48 -26.29 61.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.314 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.431 ' CA ' ' HB2' ' A' ' 120' ' ' TRP . . . 86.85 45.07 5.55 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 99' ' ' ALA . 7.0 mtmm -98.18 -51.34 4.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.556 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 45.3 p90 -150.8 155.48 39.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.969 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.521 HG22 ' CE2' ' A' ' 120' ' ' TRP . 3.8 t -118.12 112.95 40.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.13 127.92 41.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.0 mt -124.76 127.08 46.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.8 ttp180 -120.35 148.01 44.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 58' ' ' SER . 40.2 t-20 -93.77 139.71 30.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.426 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 9.3 mmtt -108.56 -35.09 6.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.453 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 2.3 t -62.42 172.29 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.977 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -102.46 -17.58 15.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.264 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -92.36 123.16 35.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -46.32 125.31 6.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.488 ' NE2' ' N ' ' A' ' 63' ' ' SER . 24.4 tp60 -91.07 128.28 36.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.488 ' N ' ' NE2' ' A' ' 62' ' ' GLN . 10.3 m -93.58 117.65 30.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.99 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.536 ' HA ' ' CD1' ' A' ' 67' ' ' TRP . 6.4 mtp -109.09 42.79 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.543 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -84.85 56.15 5.0 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.543 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.5 OUTLIER 153.11 -22.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 0.0 109.279 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.536 ' CD1' ' HA ' ' A' ' 64' ' ' MET . 12.1 m0 -45.08 167.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 107.987 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -149.33 169.82 19.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.268 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.587 HD13 ' CZ ' ' A' ' 83' ' ' PHE . 6.1 mt -129.76 116.63 38.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.46 ' CZ ' HD23 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -92.89 115.56 28.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.249 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -113.75 102.56 10.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.434 ' OE1' ' N ' ' A' ' 73' ' ' ASN . 3.3 tp-100 -105.35 131.99 52.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.267 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.434 ' N ' ' OE1' ' A' ' 72' ' ' GLN . 82.6 m-20 -132.56 148.44 52.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.89 149.18 47.25 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 40.78 55.42 3.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 0.797 . . . . 0.0 109.273 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -168.8 159.65 8.2 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 149.57 36.79 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.463 1.77 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.46 HD23 ' CZ ' ' A' ' 70' ' ' ARG . 18.7 tp -85.69 134.61 33.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -115.35 152.45 32.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 88.5 m -138.31 89.56 2.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.443 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.429 ' CD1' HD13 ' A' ' 69' ' ' ILE . 38.0 t80 -72.88 103.32 3.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.54 117.82 23.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.143 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.587 ' CZ ' HD13 ' A' ' 69' ' ' ILE . 18.7 m-85 -63.14 167.53 6.21 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 150.62 38.25 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.523 1.801 . . . . 0.0 110.942 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.43 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.3 Cg_endo -75.02 3.16 5.88 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.497 1.788 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.406 ' N ' ' HD2' ' A' ' 86' ' ' LYS . 0.2 OUTLIER -123.67 45.74 2.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.582 1.176 . . . . 0.0 109.259 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -128.13 141.37 51.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 111.031 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.1 m -147.04 112.53 5.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.383 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.41 ' CD2' HG23 ' A' ' 40' ' ' VAL . 48.0 tp -85.84 97.58 10.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.3 mtpt -50.58 168.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.441 ' O ' ' NE2' ' A' ' 93' ' ' GLN . . . -79.85 134.81 36.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 76.62 2.81 76.91 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 91' ' ' ALA . 0.9 OUTLIER -90.4 176.01 6.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 110.284 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.417 HG21 ' N ' ' A' ' 95' ' ' VAL . 14.5 p -146.52 157.5 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.249 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.435 HG23 ' N ' ' A' ' 96' ' ' THR . 7.7 p -143.12 146.89 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 109.36 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 112' ' ' LEU . 3.0 m -119.73 131.31 55.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.381 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 4.2 mp -118.24 80.37 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.556 ' CE3' ' HB3' ' A' ' 51' ' ' PHE . 43.7 m95 -65.44 165.05 12.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 108.056 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 50' ' ' LYS . . . -111.42 138.76 47.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 99' ' ' ALA . 3.5 t -38.11 -45.01 0.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.965 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -45.36 -63.76 2.57 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.54 162.23 2.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 0.761 . . . . 0.0 109.338 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -97.48 48.82 1.5 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.474 1.109 . . . . 0.0 111.018 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.495 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -76.0 -175.74 3.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -134.53 120.55 19.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.381 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -58.16 111.29 1.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.627 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.472 ' CB ' ' HB2' ' A' ' 111' ' ' ASP . 0.5 OUTLIER -143.14 69.3 18.06 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.011 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.516 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.2 Cg_endo -75.0 169.02 23.55 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.486 1.782 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.516 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -75.03 -12.81 23.98 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.05 -2.479 . . . . 0.0 111.03 0.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.544 ' OG1' ' N ' ' A' ' 111' ' ' ASP . 43.3 p -58.81 -88.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.389 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.544 ' N ' ' OG1' ' A' ' 110' ' ' THR . 77.6 m-20 -67.29 148.06 52.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.473 ' CD2' ' HB3' ' A' ' 108' ' ' PRO . 36.3 mt -145.29 151.75 38.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 53.8 t -124.74 115.33 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.501 ' CD2' ' HB2' ' A' ' 117' ' ' GLN . 7.0 t90 -77.0 95.16 4.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 108.038 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -79.43 -46.09 18.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.348 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -40.3 -43.48 1.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.501 ' HB2' ' CD2' ' A' ' 114' ' ' TRP . 1.3 mm100 -101.69 176.33 5.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.29 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.491 ' ND2' ' H ' ' A' ' 118' ' ' ASN . 0.1 OUTLIER -114.56 -8.87 12.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' THR . . . . . 0.428 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 1.3 t 179.66 160.03 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.365 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.521 ' CE2' HG22 ' A' ' 52' ' ' VAL . 51.0 m95 -77.47 -32.88 54.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 108.025 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 118.56 132.91 4.65 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 1.1 t -106.16 -153.22 0.49 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 110.48 176.29 20.71 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.544 1.152 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.64 -26.53 25.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.764 . . . . 0.0 109.974 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -113.53 118.07 33.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.991 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.455 ' CD1' ' HB2' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -135.03 154.05 51.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -158.05 104.94 1.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.29 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 5.8 m -98.7 154.48 17.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 110.375 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -151.07 154.22 36.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.105 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 14.3 tp -119.8 130.32 54.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.456 ' CD1' ' HA ' ' A' ' 137' ' ' GLU . 18.2 mm -117.02 146.65 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 136' ' ' GLU . 7.4 p30 -92.45 -172.5 3.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.417 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . 28.0 t -44.88 -38.19 4.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.013 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 136' ' ' GLU . 3.6 p -94.59 158.36 15.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.368 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -67.58 63.32 0.29 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.518 1.136 . . . . 0.0 111.04 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . 0.453 ' O ' ' ND2' ' A' ' 132' ' ' ASN . 14.4 tt0 -145.35 134.86 23.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.456 ' HA ' ' CD1' ' A' ' 131' ' ' ILE . 7.0 tt0 -80.81 146.83 30.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.346 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 37' ' ' SER . 1.2 m -114.58 -35.67 2.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -149.51 161.59 41.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 4.6 ppp? -150.18 155.74 40.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 111.017 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 4.2 ttm-85 -138.27 85.22 2.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 36.0 tttt -74.74 147.78 41.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -149.56 104.06 3.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 31' ' ' SER . 3.7 t -113.87 122.5 68.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . 0.571 ' HA ' ' CD1' ' A' ' 30' ' ' PHE . 61.9 ttt-85 -79.23 143.1 35.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 1.8 m -90.61 152.96 20.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 110.014 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -57.63 175.79 1.78 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 89.7 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.551 1.816 . . . . 0.0 110.991 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 28.1 p -101.91 139.17 37.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.02 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 14.1 m -50.34 146.01 5.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 109.998 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.031 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 179.963 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.6 m -154.7 166.86 32.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 0.774 . . . . 0.0 109.959 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t -155.1 165.48 36.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.944 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.1 165.59 26.23 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.462 1.101 . . . . 0.0 111.019 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 t -176.19 167.94 2.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 0.786 . . . . 0.0 110.024 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.03 156.44 8.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.165 . . . . 0.0 109.982 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.52 -175.18 43.2 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -134.11 160.07 38.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 0.76 . . . . 0.0 110.292 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 87.2 p -175.11 174.49 2.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.019 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 60.67 148.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.249 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.04 104.41 0.22 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.548 1.155 . . . . 0.0 111.045 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.91 166.43 33.98 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -166.5 178.78 40.81 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.1 t -134.64 170.48 15.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 0.78 . . . . 0.0 110.021 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.7 p -159.68 142.86 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 66.0 p -82.2 162.33 22.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 110.392 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.38 176.03 12.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 tttp 64.9 114.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.59 153.81 17.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.15 150.63 20.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.1 mt -142.21 -65.87 0.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -62.28 120.76 11.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.088 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.3 p -172.18 146.62 1.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.958 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 60.2 m 59.29 169.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.007 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 65.99 103.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.7 101.65 1.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.984 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -159.08 158.97 34.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 110.274 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.41 134.55 15.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.974 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.7 p -160.44 152.78 20.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 110.04 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.589 ' CD2' ' OE1' ' A' ' 47' ' ' GLU . 7.9 m-30 -40.64 153.31 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.965 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 144' ' ' VAL . 3.5 t -67.59 69.08 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.992 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 30' ' ' PHE . 30.9 mt-30 -47.19 149.74 0.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 55.5 m-70 -158.94 76.08 0.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.632 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -93.51 162.26 14.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.06 105.9 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -87.51 148.61 24.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.162 . . . . 0.0 110.383 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 138' ' ' VAL . 7.7 m -155.03 82.66 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.006 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 158.4 -138.21 5.63 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.531 1.144 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.9 mtm180 -102.54 -35.9 8.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 0.742 . . . . 0.0 110.291 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 87.3 t -94.92 156.68 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -144.94 133.56 22.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.098 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 43' ' ' GLU . 58.0 t -61.1 87.86 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -38.54 -58.2 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -172.39 135.81 0.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.494 HG21 ' CG1' ' A' ' 52' ' ' VAL . 11.5 t -122.04 114.45 42.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.469 ' OD2' ' CE2' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -53.78 113.44 1.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.589 ' OE1' ' CD2' ' A' ' 30' ' ' PHE . 5.1 pt-20 -56.08 -37.06 68.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 110.268 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -56.34 -25.56 49.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 84.97 63.71 1.58 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.472 1.108 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.5 mtmt -118.99 -52.08 2.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.582 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 37.2 p90 -144.94 159.75 42.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 111.03 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.529 HG21 ' CE2' ' A' ' 120' ' ' TRP . 73.8 t -120.79 111.68 32.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.05 127.96 38.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 110.262 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.469 ' CD1' HD13 ' A' ' 69' ' ' ILE . 8.0 mt -129.62 127.4 40.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.402 ' NE ' ' HZ1' ' A' ' 57' ' ' LYS . 24.1 ttp180 -123.19 147.38 46.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -89.44 145.56 25.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.402 ' HZ1' ' NE ' ' A' ' 55' ' ' ARG . 10.1 mmpt? -109.76 -28.32 8.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.9 t -63.02 174.62 1.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 110.013 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.04 -12.27 15.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -103.65 129.2 50.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.359 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.59 126.3 6.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -96.81 127.86 43.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.313 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.0 t -90.6 123.63 34.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.419 1.074 . . . . 0.0 109.979 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 20.0 mtp -108.38 36.61 2.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -79.91 54.94 4.49 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER 156.77 -27.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 0.756 . . . . 0.0 109.309 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.481 ' CG ' ' HA ' ' A' ' 132' ' ' ASN . 11.6 m0 -46.81 153.79 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.424 ' HG3' ' C ' ' A' ' 67' ' ' TRP . 0.0 OUTLIER -136.17 173.73 11.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.683 ' CD1' ' CE2' ' A' ' 83' ' ' PHE . 3.1 mt -136.69 115.52 15.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 47.1 mtt-85 -91.52 134.96 34.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -134.78 116.37 14.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.406 ' HB2' ' CD1' ' A' ' 78' ' ' LEU . 15.9 tm0? -137.16 110.18 7.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.329 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 32.9 m-20 -128.31 147.39 50.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 39.87 -159.84 0.02 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.465 1.103 . . . . 0.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.11 77.89 8.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 0.783 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -137.04 172.21 7.3 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 113.21 3.74 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.486 1.782 . . . . 0.0 111.032 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.406 ' CD1' ' HB2' ' A' ' 72' ' ' GLN . 11.6 tp -53.77 127.93 27.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 49.2 mtm -108.7 155.0 21.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 66.2 m -140.37 101.35 4.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.4 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -82.77 102.52 11.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.956 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 -86.1 115.98 24.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 110.302 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.683 ' CE2' ' CD1' ' A' ' 69' ' ' ILE . 29.0 m-85 -61.74 166.02 6.67 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.503 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.2 Cg_endo -75.06 145.47 31.29 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.531 1.806 . . . . 0.0 110.952 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 24.23 0.39 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.474 1.776 . . . . 0.0 111.034 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.503 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.0 OUTLIER -144.25 41.99 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -125.31 137.71 54.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.1 m -135.78 113.39 10.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 110.384 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.407 ' O ' ' O ' ' A' ' 90' ' ' LYS . 36.2 tp -89.0 95.91 10.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 89' ' ' LEU . 0.7 OUTLIER -44.29 166.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.275 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.452 ' O ' ' NE2' ' A' ' 93' ' ' GLN . . . -78.41 136.36 37.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.96 7.72 71.44 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.55 1.156 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.452 ' NE2' ' O ' ' A' ' 91' ' ' ALA . 1.0 OUTLIER -93.16 172.59 8.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.772 . . . . 0.0 110.36 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.5 p -141.44 158.15 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.4 p -143.45 131.64 19.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 112' ' ' LEU . 6.7 m -107.78 123.29 48.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 110.371 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.401 HD11 ' N ' ' A' ' 97' ' ' ILE . 4.1 mp -107.36 84.08 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.582 ' CE3' ' HB3' ' A' ' 51' ' ' PHE . 53.6 m95 -67.98 164.14 20.64 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 100' ' ' SER . . . -112.14 141.35 45.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 99' ' ' ALA . 2.4 t -37.45 -51.3 1.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.981 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 118' ' ' ASN . . . -81.14 55.12 4.8 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.535 1.147 . . . . 0.0 111.022 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -135.55 -46.71 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 100.61 24.61 9.21 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.559 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -80.74 -170.01 2.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 0.731 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.1 m -134.29 121.78 21.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 110.396 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.474 ' NE2' ' HG3' ' A' ' 108' ' ' PRO . 20.6 t60 -58.11 93.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.659 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 111' ' ' ASP . 0.5 OUTLIER -130.32 66.54 78.39 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.028 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.542 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.2 Cg_endo -75.1 169.86 21.66 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.486 1.782 . . . . 0.0 110.982 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.542 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.2 Cg_endo -75.01 -12.91 23.92 Favored 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 121.02 -2.492 . . . . 0.0 110.99 0.032 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 107' ' ' SER . 37.5 p -56.86 -83.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.423 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 107' ' ' SER . 0.8 OUTLIER -81.84 144.11 31.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.503 ' CD2' ' HB3' ' A' ' 108' ' ' PRO . 15.4 mt -139.69 162.31 35.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 65.2 t -132.67 122.31 46.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.504 ' CD2' ' HB2' ' A' ' 117' ' ' GLN . 7.0 t90 -86.3 97.59 10.48 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -80.05 -44.82 19.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -42.25 -40.73 2.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.504 ' HB2' ' CD2' ' A' ' 114' ' ' TRP . 1.0 OUTLIER -107.37 175.65 5.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.263 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 101' ' ' GLY . 3.6 p30 -114.88 -24.44 8.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' THR . . . . . 0.431 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 14.1 t -161.22 148.77 15.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.138 . . . . 0.0 110.391 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.529 ' CE2' HG21 ' A' ' 52' ' ' VAL . 46.7 m95 -67.9 -41.62 82.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 107.962 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 134.62 137.73 3.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.477 1.11 . . . . 0.0 111.035 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 7.1 p -117.43 -170.85 1.93 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 118.37 151.95 9.21 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.472 1.108 . . . . 0.0 110.97 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 74.5 p -53.6 -45.52 70.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 0.78 . . . . 0.0 110.008 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 59.7 p -93.9 120.8 34.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.963 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -136.73 151.37 49.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 16.0 ttp85 -159.5 114.83 2.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.338 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.418 HG23 ' N ' ' A' ' 129' ' ' ALA . 8.6 m -111.19 158.68 18.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.398 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.418 ' N ' HG23 ' A' ' 128' ' ' THR . . . -151.2 156.82 41.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.423 1.077 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 13.2 tp -122.58 130.39 52.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.443 HG22 ' N ' ' A' ' 132' ' ' ASN . 30.5 mm -110.48 146.89 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.481 ' HA ' ' CG ' ' A' ' 67' ' ' TRP . 11.7 p30 -100.34 -166.43 1.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.454 ' OG ' ' N ' ' A' ' 134' ' ' THR . 6.8 p -36.42 -63.61 0.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.988 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.454 ' N ' ' OG ' ' A' ' 133' ' ' SER . 7.4 t -81.54 162.21 23.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.379 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -67.39 64.84 0.26 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 110.967 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -140.09 138.86 35.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 0.797 . . . . 0.0 110.307 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.416 ' HG2' ' N ' ' A' ' 138' ' ' VAL . 0.5 OUTLIER -83.11 138.58 33.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 110.366 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 37' ' ' SER . 2.2 m -109.17 -31.34 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -146.81 158.47 43.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 22.0 ptm -143.55 147.73 34.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 111.026 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 21.7 ttm-85 -131.6 96.64 4.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.362 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -89.72 147.16 24.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -152.64 117.91 5.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' A' ' 31' ' ' SER . 7.1 t -126.45 120.22 55.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . 0.569 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 62.7 ttt180 -77.41 137.5 38.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 110.263 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 8.6 t -88.24 115.97 26.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.022 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -162.16 -174.34 31.93 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 79.43 2.68 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.432 1.754 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.93 121.98 8.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.014 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 34.6 t -111.89 118.93 36.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.006 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.453 1.096 . . . . 0.0 110.995 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.93 165.48 27.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 0.79 . . . . 0.0 110.011 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -161.72 169.24 21.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.988 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.48 147.49 7.93 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.491 1.119 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.6 p -172.56 168.18 5.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 110.026 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.3 166.4 18.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.985 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.53 -177.41 41.22 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.521 1.138 . . . . 0.0 111.017 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -172.43 154.31 3.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 110.341 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.4 p -155.89 160.06 39.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.977 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -172.16 127.78 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -147.58 103.4 0.27 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -141.32 -159.74 8.04 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -133.68 -157.3 8.26 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.7 t -161.38 99.03 1.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 109.983 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.1 p -162.47 125.42 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.7 m -110.79 -61.19 1.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.395 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -44.78 135.41 5.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.152 . . . . 0.0 109.333 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.4 108.16 1.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.7 174.7 0.37 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -165.93 -65.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.0 mt -145.22 167.8 21.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 178.57 80.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 110.346 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.1 t -156.07 125.35 6.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.009 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 178.71 121.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.977 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -149.32 121.85 8.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.65 150.45 4.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.428 1.08 . . . . 0.0 110.038 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -132.41 84.43 2.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.329 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.21 78.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.987 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.3 p 178.28 154.19 0.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.007 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.561 ' CE1' ' HG3' ' A' ' 145' ' ' ARG . 8.0 m-30 -41.34 155.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 144' ' ' VAL . 8.4 t -69.49 62.33 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.999 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -61.41 131.14 49.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 110.276 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.651 ' O ' ' CG ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -144.89 97.34 3.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.587 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.404 ' CB ' ' HG3' ' A' ' 141' ' ' ARG . . . -104.26 161.53 13.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.64 109.75 2.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.5 145.77 24.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.428 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.2 OUTLIER -156.22 81.43 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.976 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 163.09 -136.98 4.55 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.433 1.083 . . . . 0.0 111.035 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.449 ' CB ' ' HB3' ' A' ' 58' ' ' SER . 8.8 mtm180 -102.81 -36.95 8.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 0.767 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.411 ' CG1' ' N ' ' A' ' 41' ' ' ALA . 81.4 t -94.87 167.4 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 109.344 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 43' ' ' GLU . . . -154.38 132.35 11.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.438 ' CG1' ' CD ' ' A' ' 141' ' ' ARG . 58.2 t -59.46 86.94 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 41' ' ' ALA . 4.3 tm-20 -39.81 -59.87 1.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.327 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -169.27 129.62 1.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.323 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.468 HG23 ' CG1' ' A' ' 52' ' ' VAL . 14.4 t -118.16 111.31 33.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -51.51 111.92 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.333 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.551 ' OE1' ' CD2' ' A' ' 30' ' ' PHE . 4.5 pt-20 -53.43 -37.01 62.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -54.56 -30.07 53.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.336 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.39 40.32 5.76 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.459 1.099 . . . . 0.0 111.012 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -94.58 -50.13 5.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 0.784 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.572 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 25.2 p90 -149.56 158.76 44.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.52 HG22 ' CE2' ' A' ' 120' ' ' TRP . 10.8 t -119.87 119.75 61.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.73 128.81 47.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.492 ' CD1' HD11 ' A' ' 69' ' ' ILE . 13.1 mt -128.45 127.98 43.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.8 ttp180 -121.32 148.87 43.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.318 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.417 ' ND2' ' HA ' ' A' ' 91' ' ' ALA . 49.1 t-20 -92.33 140.18 29.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.36 -34.13 8.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.449 ' HB3' ' CB ' ' A' ' 39' ' ' ARG . 2.3 p -61.89 166.53 4.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.985 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -102.39 -3.5 26.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -108.19 128.9 55.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -43.84 127.31 5.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.284 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 50.8 tp60 -101.69 117.65 35.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.1 t -79.88 125.17 29.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 110.001 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 52.8 mtp -115.54 38.84 3.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 111.041 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.463 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -82.13 54.29 4.84 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.464 1.103 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.3 OUTLIER 159.33 -28.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 0.785 . . . . 0.0 109.272 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 12.1 m0 -42.63 154.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 107.966 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -138.4 172.42 12.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 110.293 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.605 ' CD1' ' CE2' ' A' ' 83' ' ' PHE . 2.0 mt -134.75 120.82 32.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 109.315 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 40.6 mtt-85 -95.19 135.44 36.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.411 ' NH1' ' OG1' ' A' ' 128' ' ' THR . 0.3 OUTLIER -138.6 122.47 17.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 110.283 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -135.14 110.64 9.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.366 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.449 ' N ' ' OD1' ' A' ' 73' ' ' ASN . 0.7 OUTLIER -116.97 138.84 51.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 37.5 -148.95 0.06 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -93.0 73.44 4.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 0.76 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.414 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 0.6 OUTLIER -131.3 173.79 5.45 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.248 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.414 ' CD ' ' CB ' ' A' ' 76' ' ' ASP . 18.4 Cg_endo -75.0 113.32 3.77 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.468 1.773 . . . . 0.0 111.037 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.9 tp -52.77 127.04 21.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -108.23 134.62 50.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 92.0 m -121.92 97.64 5.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 110.385 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -78.31 105.09 9.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.39 113.04 24.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.605 ' CE2' ' CD1' ' A' ' 69' ' ' ILE . 33.8 m-85 -58.08 165.36 2.71 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.962 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.451 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.3 Cg_endo -74.96 147.05 33.58 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.521 1.801 . . . . 0.0 111.03 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.459 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.1 Cg_endo -75.03 18.64 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.507 1.793 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.451 ' H ' ' C ' ' A' ' 84' ' ' PRO . 1.0 OUTLIER -135.64 37.89 2.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -128.75 139.48 52.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.989 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.75 116.56 10.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.422 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 32.7 tp -86.23 98.11 10.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.289 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -47.4 171.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.45 ' O ' ' NE2' ' A' ' 93' ' ' GLN . . . -82.31 138.43 34.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 71.24 4.13 55.24 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.507 1.129 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 91' ' ' ALA . 1.1 mp0 -90.64 171.32 9.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 0.797 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.4 p -141.62 155.32 20.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.429 HG22 ' N ' ' A' ' 96' ' ' THR . 3.6 p -142.16 141.12 29.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.429 ' N ' HG22 ' A' ' 95' ' ' VAL . 3.4 m -117.61 130.23 56.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 110.41 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.4 mp -115.33 87.15 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.619 ' CB ' ' CB ' ' A' ' 104' ' ' ALA . 41.8 m95 -68.62 162.85 25.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 107.974 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 100' ' ' SER . . . -106.97 140.51 39.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 99' ' ' ALA . 6.0 t -38.69 -43.36 0.89 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.09 . . . . 0.0 110.004 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -49.1 -64.41 3.33 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.54 1.15 . . . . 0.0 111.007 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.29 162.56 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -94.81 43.99 2.25 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.619 ' CB ' ' CB ' ' A' ' 98' ' ' TRP . . . -72.95 -170.29 0.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 0.766 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.1 m -145.46 125.08 13.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.15 . . . . 0.0 110.395 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.48 ' NE2' ' HG3' ' A' ' 108' ' ' PRO . 20.2 t60 -60.24 95.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.596 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -131.55 65.63 76.44 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 110.02 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.543 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.2 Cg_endo -75.01 170.0 21.39 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.572 1.827 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.543 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.2 Cg_endo -75.0 -13.65 23.5 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.969 -2.513 . . . . 0.0 110.996 -0.003 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 36.5 p -55.89 -84.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.41 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -80.32 146.69 31.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.486 ' CD2' ' HB3' ' A' ' 108' ' ' PRO . 16.3 mt -141.25 160.09 40.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.406 HG21 ' N ' ' A' ' 106' ' ' HIS . 64.7 t -129.86 124.59 59.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.516 ' CD2' ' HB2' ' A' ' 117' ' ' GLN . 7.2 t90 -87.41 99.42 11.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 107.985 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.48 -43.79 18.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -43.46 -41.97 4.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.516 ' HB2' ' CD2' ' A' ' 114' ' ' TRP . 1.6 mm-40 -104.39 170.48 7.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.474 HD21 ' N ' ' A' ' 119' ' ' THR . 0.2 OUTLIER -113.99 -12.54 12.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' THR . . . . . 0.474 ' N ' HD21 ' A' ' 118' ' ' ASN . 7.8 t -173.3 148.13 1.6 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.38 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.52 ' CE2' HG22 ' A' ' 52' ' ' VAL . 58.8 m95 -70.11 -35.45 74.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 107.98 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . 0.423 ' C ' ' ND2' ' A' ' 73' ' ' ASN . . . 127.33 137.33 4.48 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 1.6 p -119.05 -173.47 2.5 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 119.87 170.22 14.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.483 1.115 . . . . 0.0 111.01 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 90.1 p -66.28 -56.83 9.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 110.023 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 24.0 m -84.97 122.5 29.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.031 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -139.75 154.28 47.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -160.19 128.56 4.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.411 ' OG1' ' NH1' ' A' ' 71' ' ' ARG . 13.6 m -123.38 155.91 36.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.393 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -150.63 158.23 43.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 13.7 tp -123.77 130.73 53.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.329 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.436 HG22 ' N ' ' A' ' 132' ' ' ASN . 29.8 mm -110.99 146.97 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.436 ' N ' HG22 ' A' ' 131' ' ' ILE . 7.0 p30 -101.15 -171.19 1.95 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.253 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 132' ' ' ASN . 4.1 p -36.29 -55.43 0.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.001 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 136' ' ' GLU . 60.9 p -83.02 159.42 22.18 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.548 1.155 . . . . 0.0 110.386 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -68.55 59.4 0.46 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 134' ' ' THR . 13.6 tt0 -138.1 146.94 43.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 110.32 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.417 ' HG2' ' N ' ' A' ' 138' ' ' VAL . 2.6 tm-20 -88.24 144.11 26.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 37' ' ' SER . 2.8 m -111.74 -35.04 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -147.0 158.96 44.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -142.12 153.53 44.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.438 ' CD ' ' CG1' ' A' ' 42' ' ' VAL . 10.1 ttt85 -140.26 95.7 2.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.636 ' HB3' ' CD2' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -84.96 148.82 26.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.436 1.085 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -156.38 98.99 1.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 109.28 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.479 ' O ' ' N ' ' A' ' 31' ' ' SER . 33.8 t -122.71 130.08 74.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . 0.561 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 40.0 ttt180 -82.95 130.82 35.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.66 105.26 1.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.046 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -152.85 158.46 27.9 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.455 1.097 . . . . 0.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 130.67 13.49 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.481 1.779 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.89 -57.56 1.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.033 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.83 80.62 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.991 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.532 1.145 . . . . 0.0 110.978 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.29 169.47 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 0.751 . . . . 0.0 110.012 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.98 166.63 6.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.985 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.93 158.2 9.18 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.39 140.09 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 0.772 . . . . 0.0 110.006 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.36 171.98 1.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.025 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.42 139.38 2.66 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.507 1.13 . . . . 0.0 111.032 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -172.63 155.77 3.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 t -167.72 151.83 6.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.021 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -174.63 168.31 3.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.15 159.21 9.26 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.3 155.12 6.32 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 166.11 133.95 1.6 Allowed Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.79 132.14 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 0.745 . . . . 0.0 109.985 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.1 p -172.91 153.07 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.6 t -170.79 161.92 7.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.411 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.02 115.61 0.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.25 110.18 1.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.69 -66.42 0.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 ttpp -166.34 92.4 0.48 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.09 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -175.85 128.58 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -148.9 -60.73 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.7 p -175.53 164.45 3.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.033 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.7 t -123.34 -49.98 1.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.037 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 65.09 -83.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.34 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.69 149.97 44.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.981 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -128.27 90.8 3.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.271 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.7 t 41.03 89.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.143 . . . . 0.0 110.022 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 30' ' ' PHE . 15.7 m -145.57 88.58 1.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.984 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.58 ' CE1' ' HG3' ' A' ' 145' ' ' ARG . 7.4 m-30 58.69 151.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 144' ' ' VAL . 3.8 t -68.84 66.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.041 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 30' ' ' PHE . 26.5 mt-30 -42.94 150.17 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -155.52 74.98 0.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.624 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.67 160.27 15.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 109.345 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.92 103.07 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.269 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -87.51 147.27 25.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.42 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 138' ' ' VAL . 30.1 m -156.31 81.89 0.98 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 109.998 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 161.14 -138.31 5.39 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.452 1.095 . . . . 0.0 110.961 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.411 ' CB ' ' HB3' ' A' ' 58' ' ' SER . 8.2 mtm180 -103.7 -36.23 7.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 0.74 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 63.5 t -95.1 157.02 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -144.71 137.43 26.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.469 ' CG1' ' HD2' ' A' ' 141' ' ' ARG . 60.9 t -65.73 86.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 42' ' ' VAL . 7.0 tm-20 -37.82 -65.05 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -162.47 133.21 4.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.406 HG23 ' CG1' ' A' ' 52' ' ' VAL . 7.9 t -122.16 116.59 49.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -59.06 112.64 1.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.567 ' OE2' ' CE2' ' A' ' 30' ' ' PHE . 6.5 pt-20 -59.22 -29.07 67.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -63.44 -22.57 66.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 110.301 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.57 69.21 1.4 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.09 -51.73 1.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 0.789 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.57 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 35.4 p90 -148.37 155.67 41.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.573 ' CG2' ' CE2' ' A' ' 120' ' ' TRP . 37.6 t -119.82 116.18 49.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.5 122.17 41.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.29 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.473 ' CD1' HD12 ' A' ' 69' ' ' ILE . 11.0 mt -121.08 128.76 52.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.407 ' NE ' ' HZ1' ' A' ' 57' ' ' LYS . 9.1 ttp180 -122.47 148.75 44.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 39.6 t-20 -92.68 150.23 20.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.407 ' HZ1' ' NE ' ' A' ' 55' ' ' ARG . 0.2 OUTLIER -114.23 -34.55 5.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.345 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.411 ' HB3' ' CB ' ' A' ' 39' ' ' ARG . 5.6 p -62.7 167.55 4.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 110.01 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.421 ' C ' ' CB ' ' A' ' 91' ' ' ALA . 1.0 OUTLIER -101.35 -11.61 19.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -96.57 119.28 34.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 110.306 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -40.89 123.77 2.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.488 ' NE2' ' H ' ' A' ' 63' ' ' SER . 57.1 tp60 -90.41 138.52 31.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.261 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.488 ' H ' ' NE2' ' A' ' 62' ' ' GLN . 15.9 m -103.57 114.81 29.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.996 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.507 ' HA ' ' CD1' ' A' ' 67' ' ' TRP . 9.1 mtp -105.96 45.11 0.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.528 ' O ' ' ND2' ' A' ' 66' ' ' ASN . . . -87.17 54.7 4.54 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.512 1.133 . . . . 0.0 111.039 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.528 ' ND2' ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER 154.9 -23.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 0.779 . . . . 0.0 109.289 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.507 ' CD1' ' HA ' ' A' ' 64' ' ' MET . 11.3 m0 -45.66 166.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 108.032 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -149.3 168.53 23.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.583 HD13 ' CZ ' ' A' ' 83' ' ' PHE . 2.2 mt -130.65 114.86 29.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 129' ' ' ALA . 55.6 mtt-85 -90.84 128.63 36.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.25 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.413 ' HB3' ' CG ' ' A' ' 79' ' ' MET . 0.1 OUTLIER -133.9 109.39 9.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -117.47 129.68 55.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.236 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.4 ' ND2' ' C ' ' A' ' 121' ' ' GLY . 1.2 m-20 -125.13 148.84 48.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -48.97 136.45 19.85 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.546 1.154 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.84 -67.53 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 0.798 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -43.5 158.18 0.25 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -178.4 4.13 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.496 1.788 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.7 tp -103.86 130.43 51.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.413 ' CG ' ' HB3' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -119.09 146.69 44.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.581 1.176 . . . . 0.0 110.982 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 50.9 m -132.78 99.68 4.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.369 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -77.57 99.13 5.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 111.036 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -83.97 121.39 27.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.583 ' CZ ' HD13 ' A' ' 69' ' ' ILE . 28.9 m-85 -68.67 164.83 41.86 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.483 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.2 Cg_endo -75.07 145.1 30.81 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.429 1.752 . . . . 0.0 110.947 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.404 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.4 Cg_endo -74.98 34.69 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.532 1.806 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.483 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.0 OUTLIER -152.19 26.8 0.61 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -114.22 138.71 50.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.32 116.92 11.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.395 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 56.3 tp -89.61 98.84 12.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.563 1.164 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.48 167.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.352 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.421 ' CB ' ' C ' ' A' ' 59' ' ' ASN . . . -76.91 136.93 38.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.23 6.41 64.96 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.2 173.38 8.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 0.756 . . . . 0.0 110.286 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 11.9 p -143.31 157.88 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 1.1 p -145.07 140.42 22.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 112' ' ' LEU . 1.4 m -113.75 132.14 55.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.463 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 4.3 mp -117.05 83.6 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.634 ' CG ' ' CB ' ' A' ' 104' ' ' ALA . 42.4 m95 -70.36 164.31 24.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 108.034 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -109.31 136.93 47.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.5 t -39.62 -31.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.028 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 118' ' ' ASN . . . -97.1 59.3 1.16 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.466 1.103 . . . . 0.0 111.021 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -143.52 -47.39 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.788 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 109.96 9.54 24.2 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.634 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -65.21 -170.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 0.792 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -137.64 122.59 18.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.394 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.478 ' CE1' HD23 ' A' ' 112' ' ' LEU . 19.0 t60 -57.58 93.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.585 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 111' ' ' ASP . 0.5 OUTLIER -128.78 68.68 79.3 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 110.014 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.54 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.3 Cg_endo -74.94 169.66 22.12 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.54 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -75.02 -11.01 24.33 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 121.039 -2.484 . . . . 0.0 110.995 0.007 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 107' ' ' SER . 41.8 p -60.35 -90.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.396 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 107' ' ' SER . 18.9 m-20 -72.64 142.59 48.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.478 HD23 ' CE1' ' A' ' 106' ' ' HIS . 15.2 mt -138.88 165.4 27.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.408 HG21 ' N ' ' A' ' 106' ' ' HIS . 72.6 t -135.04 123.56 40.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.251 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.427 ' CD2' ' HB2' ' A' ' 117' ' ' GLN . 5.9 t90 -85.87 101.41 12.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 107.991 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.83 -39.77 29.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -52.24 -32.75 38.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.158 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.427 ' HB2' ' CD2' ' A' ' 114' ' ' TRP . 29.2 mm100 -119.62 169.7 9.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.422 ' O ' ' N ' ' A' ' 101' ' ' GLY . 0.4 OUTLIER -114.1 -26.71 7.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 10.0 t -152.45 146.15 25.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.16 . . . . 0.0 110.425 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.573 ' CE2' ' CG2' ' A' ' 52' ' ' VAL . 53.2 m95 -67.05 -15.13 63.53 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . 0.4 ' C ' ' ND2' ' A' ' 73' ' ' ASN . . . 106.4 161.01 22.36 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.458 1.099 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . 0.471 ' HA ' ' CD2' ' A' ' 126' ' ' LEU . 0.9 OUTLIER -161.88 176.58 10.68 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 125' ' ' SER . . . 138.45 44.06 0.08 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 68.18 -64.01 0.31 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 0.769 . . . . 0.0 109.952 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 123' ' ' GLY . 25.3 p -84.72 133.35 34.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.105 . . . . 0.0 110.013 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.471 ' CD2' ' HA ' ' A' ' 122' ' ' CYS . 0.5 OUTLIER -144.54 155.67 43.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -156.11 100.56 2.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.283 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 29.6 m -98.06 163.53 12.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.425 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -164.42 152.56 12.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 14.2 tp -117.85 130.54 56.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.447 ' CD1' ' HA ' ' A' ' 137' ' ' GLU . 19.2 mm -116.46 146.49 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.409 ' ND2' ' O ' ' A' ' 136' ' ' GLU . 7.8 p30 -92.83 -171.7 2.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.423 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . 1.4 t -44.83 -41.7 7.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.052 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 136' ' ' GLU . 5.5 p -91.95 159.05 15.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.416 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -67.4 62.51 0.26 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.51 1.131 . . . . 0.0 111.031 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 134' ' ' THR . 18.2 tt0 -143.08 135.78 27.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 0.76 . . . . 0.0 110.33 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.447 ' HA ' ' CD1' ' A' ' 131' ' ' ILE . 4.0 tt0 -82.96 145.82 29.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 37' ' ' SER . 1.7 m -113.14 -35.32 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -144.08 157.88 44.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 17.3 ptm -142.84 143.74 32.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.469 ' HD2' ' CG1' ' A' ' 42' ' ' VAL . 7.8 ttt85 -131.05 82.57 2.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.437 ' HE2' ' CG2' ' A' ' 144' ' ' VAL . 32.1 tttt -78.82 147.68 33.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -149.97 116.66 5.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 31' ' ' SER . 32.3 t -122.22 124.35 70.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . 0.58 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 57.4 ttt180 -77.34 148.48 35.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 1.4 m -119.83 113.39 20.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.97 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -160.41 160.14 31.49 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -52.05 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.451 1.764 . . . . 0.0 111.055 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 4.3 t 61.59 86.09 0.11 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 110.04 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 98.8 p -112.78 129.2 56.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.979 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.553 1.158 . . . . 0.0 111.015 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.8 p -174.58 123.98 0.28 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 0.793 . . . . 0.0 109.976 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.03 168.51 6.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 109.984 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.03 -165.85 14.61 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.453 1.096 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.77 170.44 3.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 0.758 . . . . 0.0 109.94 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.2 t -139.12 167.75 21.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.02 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.67 148.19 6.72 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.483 1.114 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -170.33 133.98 1.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 0.739 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.6 m -147.54 169.61 19.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.035 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.97 165.87 19.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -122.57 -153.19 8.77 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.473 1.108 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -163.01 -140.55 2.9 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 151.98 120.36 0.87 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.14 158.22 21.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 110.046 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.7 p -148.83 146.88 17.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.5 t -161.35 138.01 8.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.386 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -60.34 167.03 2.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.34 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -162.62 175.27 11.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.1 ttt180 60.03 100.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.318 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -167.94 97.13 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -54.1 166.28 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -177.51 -60.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.273 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.75 138.08 33.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 110.023 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.7 m -111.93 -59.28 2.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.052 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -51.87 147.61 6.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.418 1.073 . . . . 0.0 110.331 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.8 p -140.71 154.86 46.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.028 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -118.05 148.7 42.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 91.1 p -70.49 80.46 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 110.021 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.437 ' O ' ' O ' ' A' ' 30' ' ' PHE . 75.3 m -167.69 92.64 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.006 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.535 ' CD1' ' HA ' ' A' ' 145' ' ' ARG . 10.0 m-30 57.98 148.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.511 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 33.8 m -72.19 68.16 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.976 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.431 ' CG ' HD12 ' A' ' 143' ' ' LEU . 62.5 mt-30 -42.97 142.56 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.511 ' CD2' ' O ' ' A' ' 31' ' ' SER . 68.1 m-70 -155.47 74.6 0.9 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.616 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -101.29 157.09 17.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -151.59 112.61 4.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -86.1 147.52 26.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.435 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.2 OUTLIER -155.94 81.78 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.989 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 156.81 -134.96 4.23 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.143 . . . . 0.0 111.038 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.6 mtm-85 -105.53 -41.88 5.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 0.746 . . . . 0.0 110.292 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 89.6 t -93.16 147.41 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -134.26 139.5 45.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.269 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.449 ' CG1' ' HD2' ' A' ' 141' ' ' ARG . 44.9 t -66.89 87.46 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 42' ' ' VAL . 7.5 tp10 -37.67 -72.81 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 110.308 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -153.8 132.61 12.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.447 HG23 ' CG1' ' A' ' 52' ' ' VAL . 9.6 t -119.51 103.78 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -42.41 112.34 0.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.475 ' CD ' ' CD2' ' A' ' 30' ' ' PHE . 5.0 pt-20 -58.44 -35.51 72.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.258 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -61.26 -25.06 66.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.289 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.09 71.53 1.3 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -127.17 -45.26 1.55 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 0.754 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.522 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 35.2 p90 -155.46 155.34 33.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 111.038 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.494 HG22 ' CE2' ' A' ' 120' ' ' TRP . 26.0 t -118.89 113.02 40.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.4 124.27 42.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.279 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.435 ' CD1' HD11 ' A' ' 69' ' ' ILE . 10.8 mt -120.11 133.75 55.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.56 147.43 49.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.439 ' OD1' ' N ' ' A' ' 57' ' ' LYS . 52.7 t-20 -90.55 147.97 23.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.439 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 4.7 mmtp -112.51 -33.45 6.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.326 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.5 t -61.57 165.65 4.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 110.013 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.462 ' C ' ' CB ' ' A' ' 91' ' ' ALA . 1.1 p-10 -97.0 -18.27 19.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -93.65 128.73 39.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 110.269 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.51 132.57 6.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 89' ' ' LEU . 36.1 tp60 -101.75 134.84 44.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.332 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.428 ' H ' ' NE2' ' A' ' 62' ' ' GLN . 48.0 t -99.33 126.3 45.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.099 . . . . 0.0 110.006 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.477 ' HA ' ' CD1' ' A' ' 67' ' ' TRP . 13.2 mtp -119.57 43.58 2.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.489 ' O ' ' ND2' ' A' ' 66' ' ' ASN . . . -85.13 54.65 4.91 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.505 1.128 . . . . 0.0 110.944 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER 157.51 -25.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 0.729 . . . . 0.0 109.261 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.477 ' CD1' ' HA ' ' A' ' 64' ' ' MET . 12.6 m0 -43.07 163.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 108.022 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -149.88 169.36 21.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.282 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.598 HD12 ' CZ ' ' A' ' 83' ' ' PHE . 11.5 mt -130.07 115.17 31.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 57.3 mtt-85 -86.31 131.1 34.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.323 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -126.92 104.65 8.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.316 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -123.65 93.51 3.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 74' ' ' GLY . 8.6 p30 -107.26 140.19 40.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 73' ' ' ASN . . . 37.61 -144.24 0.18 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.499 1.124 . . . . 0.0 110.984 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -99.02 52.97 0.97 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 0.773 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.464 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 0.4 OUTLIER -109.76 175.98 1.72 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.464 ' CD ' ' CB ' ' A' ' 76' ' ' ASP . 18.1 Cg_endo -75.07 114.55 4.04 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.528 1.804 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.9 tp -61.34 120.89 11.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -105.52 134.31 48.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.6 m -115.38 94.16 4.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.368 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.561 ' CE2' HG21 ' A' ' 97' ' ' ILE . 63.6 t80 -74.23 95.2 2.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.5 ttt180 -80.27 121.2 25.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.598 ' CZ ' HD12 ' A' ' 69' ' ' ILE . 19.7 m-85 -66.33 166.7 15.66 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.505 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.4 Cg_endo -75.0 144.97 30.86 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.535 1.808 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.42 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.2 Cg_endo -75.03 25.79 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.499 1.789 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.505 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.0 OUTLIER -144.3 35.0 1.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.147 . . . . 0.0 109.317 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -120.57 130.87 54.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 111.01 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.21 108.0 9.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.373 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 62' ' ' GLN . 54.0 tp -82.21 94.71 7.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 89' ' ' LEU . 38.5 mtmt -47.44 173.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.462 ' CB ' ' C ' ' A' ' 59' ' ' ASN . . . -85.01 132.5 34.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.26 9.67 86.68 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.506 1.129 . . . . 0.0 110.953 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.424 ' NE2' ' O ' ' A' ' 91' ' ' ALA . 1.4 mp0 -94.95 175.16 6.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 0.748 . . . . 0.0 110.323 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.9 p -144.39 160.17 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.416 HG22 ' N ' ' A' ' 96' ' ' THR . 6.5 p -147.95 147.12 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 112' ' ' LEU . 9.2 m -120.66 131.95 54.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.469 1.105 . . . . 0.0 110.4 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.561 HG21 ' CE2' ' A' ' 81' ' ' TYR . 4.1 mp -117.48 81.98 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.522 ' CE3' ' HB3' ' A' ' 51' ' ' PHE . 37.4 m95 -66.94 166.62 13.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 107.975 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 100' ' ' SER . . . -111.22 142.94 42.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 99' ' ' ALA . 4.2 t -37.43 -59.04 0.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.987 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 118' ' ' ASN . . . -47.09 -48.77 19.41 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -41.79 -43.69 3.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 0.763 . . . . 0.0 109.281 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 76.19 23.84 70.26 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.534 1.146 . . . . 0.0 111.02 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.61 -159.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 0.786 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -126.95 116.94 21.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.388 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -58.83 111.57 1.33 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.625 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.482 ' CB ' ' HB2' ' A' ' 111' ' ' ASP . 0.4 OUTLIER -141.48 68.18 25.53 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.026 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.514 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.4 Cg_endo -75.01 169.16 23.24 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.525 1.802 . . . . 0.0 111.001 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.514 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.5 Cg_endo -74.95 -10.62 24.07 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 121.034 -2.486 . . . . 0.0 111.027 0.006 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 107' ' ' SER . 33.3 p -60.87 -88.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.373 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.482 ' HB2' ' CB ' ' A' ' 107' ' ' SER . 13.8 m-20 -67.39 144.38 55.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.33 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.475 ' CD2' ' HB3' ' A' ' 108' ' ' PRO . 26.7 mt -141.81 151.2 42.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 47.1 t -122.21 119.51 58.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.51 ' CD2' ' HB2' ' A' ' 117' ' ' GLN . 5.1 t90 -80.23 99.17 7.69 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.14 -43.88 18.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -45.64 -51.91 11.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.524 ' NE2' ' H ' ' A' ' 119' ' ' THR . 0.1 OUTLIER -90.67 176.4 6.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.403 ' O ' ' N ' ' A' ' 101' ' ' GLY . 3.5 p30 -116.01 -31.91 5.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' THR . . . . . 0.524 ' H ' ' NE2' ' A' ' 117' ' ' GLN . 13.1 t -160.44 128.51 4.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.379 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.494 ' CE2' HG22 ' A' ' 52' ' ' VAL . 54.3 m95 -45.55 -42.18 10.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 108.027 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 135.84 133.3 3.21 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.13 . . . . 0.0 111.049 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 4.0 p -113.41 -172.18 2.02 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 126.99 -156.65 20.34 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.2 p -108.62 -32.05 7.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 0.785 . . . . 0.0 110.029 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 32.9 p -113.15 119.44 37.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.98 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.471 ' CD1' ' O ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -135.52 150.61 49.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -150.45 108.4 3.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 110.33 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 5.7 m -108.49 141.7 39.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.418 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -137.66 145.27 42.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.458 HD21 ' CG2' ' A' ' 138' ' ' VAL . 14.9 tp -103.96 131.57 51.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.422 ' CD1' ' HA ' ' A' ' 137' ' ' GLU . 24.2 mm -117.3 146.28 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 133' ' ' SER . 9.9 p30 -97.71 -170.94 2.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 132' ' ' ASN . 0.4 OUTLIER -36.73 -59.64 0.66 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 136' ' ' GLU . 51.8 p -79.49 160.24 26.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -68.19 60.96 0.4 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.469 1.105 . . . . 0.0 110.963 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 134' ' ' THR . 15.0 tt0 -137.11 138.56 40.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 0.787 . . . . 0.0 110.29 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.422 ' HA ' ' CD1' ' A' ' 131' ' ' ILE . 4.0 tm-20 -84.54 142.98 29.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.458 ' CG2' HD21 ' A' ' 130' ' ' LEU . 2.9 m -112.81 -36.78 2.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -141.03 161.53 37.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 17.1 ptm -143.46 157.54 44.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.449 ' HD2' ' CG1' ' A' ' 42' ' ' VAL . 4.8 ttm-85 -147.49 87.38 1.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.334 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 36.3 tttt -85.02 125.88 33.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.431 HD12 ' CG ' ' A' ' 32' ' ' GLN . 1.3 mm? -123.02 116.21 23.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 31' ' ' SER . 2.9 t -121.23 132.56 70.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . 0.535 ' HA ' ' CD1' ' A' ' 30' ' ' PHE . 72.7 ttt180 -86.95 148.86 25.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.26 136.17 33.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 110.026 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -158.06 -171.21 23.7 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.465 1.103 . . . . 0.0 110.986 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -55.06 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.514 1.797 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 7.1 m -63.18 130.9 46.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.009 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 16.8 t -143.79 -58.08 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.967 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.9 t -178.18 125.06 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 110.049 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.7 p -179.21 171.19 1.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.026 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.61 160.99 26.6 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.13 164.04 1.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 0.787 . . . . 0.0 109.976 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.2 t -179.1 135.03 0.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.994 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.69 94.97 0.1 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.485 1.115 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -143.15 165.91 26.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 0.734 . . . . 0.0 110.306 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 81.8 p -158.24 153.53 25.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.051 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -124.83 172.28 9.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.322 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -171.95 178.09 44.36 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.55 1.156 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -170.63 -167.34 30.88 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 162.15 176.93 34.75 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.16 160.69 15.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 0.744 . . . . 0.0 110.004 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.7 m -130.08 61.09 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.406 ' O ' ' CG2' ' A' ' 16' ' ' THR . 15.0 t -115.77 57.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.398 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -168.91 171.35 8.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.39 150.21 27.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -120.98 137.24 54.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.6 170.78 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.9 tp -149.74 -64.73 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 62.4 85.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.9 m -74.4 155.84 37.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.007 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.4 m -67.45 96.53 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.007 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -164.68 86.91 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.3 m -104.47 -59.31 1.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.994 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 59.41 157.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 110.306 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 88.1 p -90.76 117.17 29.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.948 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 30' ' ' PHE . 15.1 p 176.3 94.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.996 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.571 ' CD1' ' HA ' ' A' ' 145' ' ' ARG . 9.5 m-30 57.75 154.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 110.962 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.548 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 48.9 m -78.25 68.97 4.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.024 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.424 ' CG ' HD12 ' A' ' 143' ' ' LEU . 42.1 mt-30 -37.92 144.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.548 ' CD2' ' O ' ' A' ' 31' ' ' SER . 58.8 m-70 -157.41 73.37 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 109.61 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.481 ' CB ' ' NH1' ' A' ' 141' ' ' ARG . . . -102.47 166.36 10.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.33 108.97 1.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.27 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.99 147.76 26.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.384 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 138' ' ' VAL . 4.8 m -156.44 81.94 0.97 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.102 . . . . 0.0 109.986 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 157.08 -138.66 6.0 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.491 1.119 . . . . 0.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.455 ' CG ' ' HB3' ' A' ' 58' ' ' SER . 7.8 mtm180 -102.11 -39.08 7.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 0.77 . . . . 0.0 110.276 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 88.3 t -89.33 156.3 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.424 ' HB3' ' CG ' ' A' ' 57' ' ' LYS . . . -145.17 136.65 25.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.422 ' CG1' ' HD2' ' A' ' 141' ' ' ARG . 47.9 t -64.48 87.19 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -39.58 -59.61 1.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.285 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -170.88 135.46 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.475 HG23 ' CG1' ' A' ' 52' ' ' VAL . 10.5 t -122.12 116.95 50.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -50.73 108.09 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.48 ' O ' ' CD1' ' A' ' 126' ' ' LEU . 8.0 pt-20 -56.55 -31.23 63.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -67.03 -26.4 66.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.328 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.5 81.34 1.38 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -139.71 -49.93 0.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.573 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 49.5 p90 -148.31 157.71 43.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.591 ' CG2' ' CE2' ' A' ' 120' ' ' TRP . 52.4 t -120.16 109.42 25.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.73 126.46 36.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.257 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.471 ' CD1' HD11 ' A' ' 69' ' ' ILE . 33.3 mt -125.32 125.44 43.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.489 ' CG ' HG23 ' A' ' 94' ' ' VAL . 25.7 ttp180 -119.83 146.54 45.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -89.63 145.89 24.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.424 ' CG ' ' HB3' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -107.85 -34.96 6.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.455 ' HB3' ' CG ' ' A' ' 39' ' ' ARG . 84.0 p -61.55 165.65 4.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 110.007 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -103.81 13.14 33.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -125.13 131.74 53.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -47.3 119.97 2.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 50.5 tp60 -94.28 114.2 26.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.343 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 89.8 p -71.34 121.77 19.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.019 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 43.8 mtp -115.14 46.03 1.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.465 ' O ' ' ND2' ' A' ' 66' ' ' ASN . . . -91.81 55.35 3.0 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.479 1.112 . . . . 0.0 110.967 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.465 ' ND2' ' O ' ' A' ' 65' ' ' GLY . 0.3 OUTLIER 159.46 -28.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 0.787 . . . . 0.0 109.275 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 11.2 m0 -43.98 161.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 108.029 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -146.05 169.91 17.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.575 HD12 ' CZ ' ' A' ' 83' ' ' PHE . 4.7 mt -129.7 115.84 35.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 38.6 mtt-85 -89.6 139.56 30.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.421 ' NH1' ' HB3' ' A' ' 120' ' ' TRP . 0.4 OUTLIER -140.33 102.03 4.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 110.296 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -114.46 105.92 13.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.16 . . . . 0.0 110.263 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.42 ' OD1' ' NE ' ' A' ' 71' ' ' ARG . 41.4 m-20 -105.61 149.12 26.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 75' ' ' ASP . . . -59.35 153.06 32.59 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 74' ' ' GLY . 28.4 m-20 40.38 58.3 2.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 0.767 . . . . 0.0 109.274 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -175.62 162.56 2.11 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.452 1.095 . . . . 0.0 109.346 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 162.84 36.42 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.482 1.78 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.7 tp -100.47 127.26 46.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -112.16 155.86 23.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 17.8 m -140.64 98.59 3.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 110.425 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -77.33 98.76 5.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.967 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.4 ttp85 -83.47 113.76 21.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.575 ' CZ ' HD12 ' A' ' 69' ' ' ILE . 37.5 m-85 -59.07 164.74 4.16 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.504 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.3 Cg_endo -75.0 145.89 31.99 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.493 1.786 . . . . 0.0 110.993 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.434 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.3 Cg_endo -75.02 25.45 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.478 1.778 . . . . 0.0 111.023 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.504 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.7 OUTLIER -144.18 38.76 1.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -128.45 135.12 49.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -134.6 111.13 9.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 90' ' ' LYS . 33.7 tp -81.93 96.8 7.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 89' ' ' LEU . 1.0 OUTLIER -47.82 173.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.403 ' O ' ' NE2' ' A' ' 93' ' ' GLN . . . -81.22 139.77 35.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 67.54 7.99 49.57 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.403 ' NE2' ' O ' ' A' ' 91' ' ' ALA . 0.4 OUTLIER -87.65 175.6 7.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 0.76 . . . . 0.0 110.289 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.489 HG23 ' CG ' ' A' ' 55' ' ' ARG . 19.6 t -147.59 145.76 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.6 p -133.57 138.39 51.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 112' ' ' LEU . 2.0 m -111.67 126.22 54.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 110.414 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 4.8 mp -111.64 85.84 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.573 ' CE3' ' HB3' ' A' ' 51' ' ' PHE . 53.0 m95 -71.22 165.9 22.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 107.996 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 100' ' ' SER . . . -106.69 141.17 38.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.103 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 99' ' ' ALA . 4.4 t -37.09 -46.2 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.002 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -99.98 75.13 0.46 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.518 1.136 . . . . 0.0 111.033 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 103' ' ' GLY . . . -161.08 27.96 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 0.746 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 102' ' ' ALA . . . 35.04 52.32 0.87 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.482 1.114 . . . . 0.0 110.97 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.541 ' HB2' ' CG ' ' A' ' 98' ' ' TRP . . . -99.81 -158.47 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 0.79 . . . . 0.0 109.353 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.3 m -158.42 122.1 3.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.43 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.505 ' NE2' ' HG3' ' A' ' 108' ' ' PRO . 21.3 t60 -62.81 94.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.157 . . . . 0.0 109.626 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.04 65.5 75.53 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.032 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.554 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.3 Cg_endo -74.99 170.55 20.18 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.531 1.806 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.554 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -75.01 -13.05 23.86 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 120.998 -2.501 . . . . 0.0 110.979 -0.004 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 71.7 p -57.0 -85.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.41 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -79.05 145.01 34.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.492 ' CD2' ' HB3' ' A' ' 108' ' ' PRO . 16.1 mt -139.28 161.86 36.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 54.6 t -128.17 121.6 56.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.522 ' CE2' ' HB2' ' A' ' 117' ' ' GLN . 6.5 t90 -81.55 100.29 9.29 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -79.67 -42.28 25.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -45.88 -53.46 9.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.522 ' HB2' ' CE2' ' A' ' 114' ' ' TRP . 0.1 OUTLIER -97.55 175.86 6.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.431 ' HA ' ' HB3' ' A' ' 100' ' ' SER . 4.1 p30 -113.2 -24.45 9.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' THR . . . . . 0.439 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 14.9 t -162.34 149.29 13.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.374 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.591 ' CE2' ' CG2' ' A' ' 52' ' ' VAL . 60.7 m95 -66.0 -33.25 75.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 107.972 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 126.05 138.67 4.93 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 8.9 p -122.64 -170.78 2.15 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 132.72 -121.03 2.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 58.2 p -137.71 -50.24 0.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 110.007 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 71.0 m -107.73 110.27 22.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.018 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.48 ' CD1' ' O ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -122.7 155.42 36.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.257 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -143.89 116.75 8.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 110.332 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 15.3 m -108.09 151.61 25.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.103 . . . . 0.0 110.411 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -150.33 152.09 33.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.364 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.452 HD21 ' CG2' ' A' ' 138' ' ' VAL . 14.0 tp -118.69 130.42 55.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 19.0 mm -111.9 146.77 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.456 ' H ' ' ND2' ' A' ' 132' ' ' ASN . 0.7 OUTLIER -100.88 -175.11 2.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 132' ' ' ASN . 1.1 p -34.12 -53.27 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.007 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 136' ' ' GLU . 43.0 p -85.22 158.72 20.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.431 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -67.83 61.99 0.33 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.549 1.156 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . 0.449 ' O ' ' ND2' ' A' ' 132' ' ' ASN . 16.7 tt0 -139.07 147.48 42.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 0.789 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.419 ' HG2' ' N ' ' A' ' 138' ' ' VAL . 1.1 tt0 -91.0 141.37 28.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.33 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.472 ' O ' ' N ' ' A' ' 37' ' ' SER . 1.9 m -108.95 -34.79 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.274 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -150.83 157.56 43.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 14.5 ptm -144.26 150.48 37.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.481 ' NH1' ' CB ' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -134.94 97.5 3.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 39.8 tttt -92.66 120.81 33.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.352 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 30' ' ' PHE . 1.0 OUTLIER -115.02 109.27 17.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.465 ' O ' ' N ' ' A' ' 31' ' ' SER . 3.0 t -111.11 125.71 68.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . 0.571 ' HA ' ' CD1' ' A' ' 30' ' ' PHE . 73.7 ttt180 -82.92 141.35 32.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.323 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 4.0 t -91.97 140.87 29.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.026 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 134.34 158.99 8.68 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 0.0 110.964 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.05 164.14 33.86 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.534 1.807 . . . . 0.0 111.021 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 46.1 m -142.57 -59.87 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 110.031 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.48 130.84 38.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.994 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.537 1.148 . . . . 0.0 111.021 179.957 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.4 p -166.93 167.22 14.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 0.733 . . . . 0.0 109.998 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.21 168.69 2.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.994 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.77 -171.9 44.85 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.71 108.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 0.786 . . . . 0.0 109.961 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.7 p -175.26 144.51 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.969 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.22 67.8 0.31 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.46 1.1 . . . . 0.0 111.044 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -43.74 165.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 0.796 . . . . 0.0 110.316 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.7 p -161.26 109.71 1.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.002 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -127.0 136.06 51.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 110.338 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.12 158.67 41.51 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -147.86 172.8 28.11 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -175.7 -154.7 11.71 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.0 p -161.38 143.24 11.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 0.753 . . . . 0.0 110.025 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.9 p -46.55 167.04 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.8 t -91.96 122.38 34.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.416 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp 56.56 95.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 tptp -167.78 131.16 1.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.69 -71.39 0.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -162.46 116.27 1.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -151.52 121.0 6.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 64.75 151.84 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.6 t -143.41 131.94 22.34 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.153 . . . . 0.0 109.992 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.2 141.24 0.55 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -132.19 103.75 6.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 m -69.7 152.75 44.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.985 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.99 94.82 10.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.9 m 52.18 84.35 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.031 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.5 m -170.94 151.52 3.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.988 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.579 ' CE1' ' HB2' ' A' ' 145' ' ' ARG . 9.2 m-30 -44.04 141.65 1.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 144' ' ' VAL . 3.2 t -68.12 65.84 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.006 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.462 ' HG2' ' CD2' ' A' ' 143' ' ' LEU . 38.5 mt-30 -42.25 135.91 2.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.574 1.171 . . . . 0.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.622 ' CE1' ' CG ' ' A' ' 142' ' ' LYS . 0.2 OUTLIER -154.42 86.45 1.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.602 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.483 ' CB ' ' HA ' ' A' ' 141' ' ' ARG . . . -109.24 158.68 17.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.087 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.22 110.04 4.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.58 147.55 23.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 110.379 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 138' ' ' VAL . 4.9 m -156.0 82.27 1.01 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.138 . . . . 0.0 110.01 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 162.34 -142.04 7.66 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.517 1.136 . . . . 0.0 110.99 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.477 ' CB ' ' HB2' ' A' ' 58' ' ' SER . 9.8 mtm180 -99.01 -34.07 10.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.778 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.443 ' CG1' ' N ' ' A' ' 41' ' ' ALA . 96.4 t -97.43 167.71 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.443 ' N ' ' CG1' ' A' ' 40' ' ' VAL . . . -152.22 142.09 22.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 43' ' ' GLU . 58.8 t -68.99 86.52 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 42' ' ' VAL . 0.1 OUTLIER -38.79 -66.23 0.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.34 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -161.78 129.71 4.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.2 t -116.52 104.76 17.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -43.61 113.22 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.262 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.453 ' O ' ' CD1' ' A' ' 126' ' ' LEU . 5.0 pt-20 -56.32 -36.93 69.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.3 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -58.37 -23.02 55.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.49 62.87 1.83 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.531 1.144 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.1 mtmm -117.52 -49.67 2.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 0.745 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.479 ' CB ' ' HA ' ' A' ' 98' ' ' TRP . 44.7 p90 -148.6 158.72 44.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.523 HG21 ' CE2' ' A' ' 120' ' ' TRP . 24.6 t -121.05 113.72 40.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -96.45 123.19 40.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 0.0 110.277 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.463 ' CD1' HD13 ' A' ' 69' ' ' ILE . 23.4 mt -117.51 127.67 54.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.4 ' CB ' ' HB2' ' A' ' 43' ' ' GLU . 27.2 ttp180 -118.45 148.97 42.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 58' ' ' SER . 41.2 t-20 -96.57 133.93 40.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -104.33 -27.52 11.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.344 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.477 ' HB2' ' CB ' ' A' ' 39' ' ' ARG . 13.1 t -64.33 163.26 13.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.972 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.427 ' C ' ' CB ' ' A' ' 91' ' ' ALA . 4.6 t30 -96.16 -19.13 19.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.419 ' CG ' ' HD3' ' A' ' 39' ' ' ARG . 2.2 pt-20 -96.56 123.24 40.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -40.08 128.78 2.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 89' ' ' LEU . 39.1 tp60 -96.12 124.27 40.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.327 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.414 ' N ' ' NE2' ' A' ' 62' ' ' GLN . 2.4 m -89.59 110.03 20.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 15.1 mtp -105.02 41.67 1.31 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.464 1.103 . . . . 0.0 111.005 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.54 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -83.56 58.89 5.01 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.54 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 1.2 m120 153.54 -27.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 0.0 109.318 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.533 ' CG ' ' HA ' ' A' ' 132' ' ' ASN . 18.6 m0 -42.42 161.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 108.014 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -141.24 173.86 11.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.326 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.613 ' CD1' ' CE2' ' A' ' 83' ' ' PHE . 7.5 mt -134.66 117.58 23.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.447 ' HG3' ' CG1' ' A' ' 131' ' ' ILE . 35.0 mtt-85 -88.98 145.51 25.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.259 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.438 ' NH1' ' OG1' ' A' ' 128' ' ' THR . 0.1 OUTLIER -146.37 110.03 4.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.444 ' CG ' ' HG ' ' A' ' 78' ' ' LEU . 5.1 tm0? -124.79 104.58 8.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.122 . . . . 0.0 110.31 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -101.98 147.74 26.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -52.56 140.67 28.94 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 111.005 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 43.54 53.57 5.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 0.747 . . . . 0.0 109.252 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -155.31 159.03 32.06 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 138.67 23.21 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.515 1.797 . . . . 0.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.444 ' HG ' ' CG ' ' A' ' 72' ' ' GLN . 1.4 tt -77.53 128.17 33.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -121.7 155.96 34.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 91.3 m -140.84 103.32 4.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.405 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.403 ' HD2' ' CD1' ' A' ' 114' ' ' TRP . 39.2 t80 -82.12 104.58 12.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 34.8 ttp85 -86.73 121.48 29.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.267 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.613 ' CE2' ' CD1' ' A' ' 69' ' ' ILE . 29.1 m-85 -67.31 166.23 22.56 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 111.043 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.498 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.2 Cg_endo -75.02 145.41 31.34 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.485 1.782 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 29.3 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.55 1.816 . . . . 0.0 111.008 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.498 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.0 OUTLIER -148.59 38.26 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -127.63 129.5 47.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.976 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.1 m -129.76 114.3 15.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.38 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 62' ' ' GLN . 54.9 tp -85.98 95.32 9.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.137 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -47.31 166.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.441 ' O ' ' NE2' ' A' ' 93' ' ' GLN . . . -78.6 134.02 37.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 78.31 4.56 86.97 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 91' ' ' ALA . 0.8 OUTLIER -89.51 176.02 7.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 0.766 . . . . 0.0 110.254 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 13.1 p -144.27 158.97 15.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.418 HG22 ' N ' ' A' ' 96' ' ' THR . 12.9 p -146.93 151.2 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.349 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 112' ' ' LEU . 21.0 m -126.54 126.71 44.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 110.433 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 4.1 mp -113.4 82.92 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.603 ' CG ' ' CB ' ' A' ' 104' ' ' ALA . 42.0 m95 -66.39 162.17 21.0 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.442 ' HB2' ' CD1' ' A' ' 120' ' ' TRP . . . -104.73 141.08 37.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 99' ' ' ALA . 3.8 t -37.67 -56.6 1.04 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.983 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 118' ' ' ASN . . . -42.15 -59.97 2.81 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.03 152.65 2.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 0.79 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -89.12 39.47 3.12 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.475 1.109 . . . . 0.0 111.034 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.603 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -70.07 173.48 6.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 0.794 . . . . 0.0 109.245 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -126.44 115.92 20.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.378 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -54.63 110.26 0.62 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.123 . . . . 0.0 109.578 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.48 ' CB ' ' HB2' ' A' ' 111' ' ' ASP . 0.4 OUTLIER -143.06 68.86 18.09 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.522 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.3 Cg_endo -74.98 169.13 23.31 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.552 1.817 . . . . 0.0 110.964 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.522 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -75.03 -12.95 23.96 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 120.983 -2.507 . . . . 0.0 111.019 -0.002 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.512 ' OG1' ' N ' ' A' ' 111' ' ' ASP . 44.3 p -58.06 -82.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.408 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.512 ' N ' ' OG1' ' A' ' 110' ' ' THR . 74.3 m-20 -73.7 148.78 42.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.484 ' CD2' ' HB3' ' A' ' 108' ' ' PRO . 44.9 mt -145.72 151.36 37.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 57.3 t -123.95 121.43 62.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.515 ' CE2' ' HB2' ' A' ' 117' ' ' GLN . 7.8 t90 -82.77 97.53 8.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 108.02 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.4 mtpp -78.46 -44.43 24.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -40.57 -55.57 2.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.515 ' HB2' ' CE2' ' A' ' 114' ' ' TRP . 0.7 OUTLIER -92.01 175.87 6.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 101' ' ' GLY . 3.8 p30 -114.41 -26.37 7.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' THR . . . . . 0.447 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 14.6 t -161.72 129.47 4.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.434 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.523 ' CE2' HG21 ' A' ' 52' ' ' VAL . 50.5 m95 -47.04 -45.6 21.55 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 132.99 143.59 5.06 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 2.6 p -119.34 -172.98 2.42 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 127.42 143.59 5.78 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 145' ' ' ARG . 14.0 p -45.07 -33.33 2.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 0.743 . . . . 0.0 110.01 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.6 m -120.19 131.45 55.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.942 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.453 ' CD1' ' O ' ' A' ' 47' ' ' GLU . 0.4 OUTLIER -132.53 148.38 52.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 3.5 ttt-85 -136.4 107.67 6.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.288 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.438 ' OG1' ' NH1' ' A' ' 71' ' ' ARG . 29.7 m -113.88 144.94 42.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.391 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -142.58 158.51 43.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.118 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 13.6 tp -121.72 129.1 52.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.447 ' CG1' ' HG3' ' A' ' 70' ' ' ARG . 24.5 mm -110.38 148.79 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.533 ' HA ' ' CG ' ' A' ' 67' ' ' TRP . 6.2 p30 -100.81 -173.33 2.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.49 ' N ' ' CD1' ' A' ' 67' ' ' TRP . 6.4 p -37.72 -46.38 0.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 109.98 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 136' ' ' GLU . 60.3 p -90.75 159.25 16.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 110.376 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -68.75 60.4 0.49 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.517 1.135 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . 0.465 ' O ' ' ND2' ' A' ' 132' ' ' ASN . 6.2 tt0 -140.96 139.49 34.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -80.57 140.53 35.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 110.251 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 37' ' ' SER . 2.5 m -111.81 -30.11 2.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.25 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -150.29 160.47 43.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 25.3 ptm -147.8 155.08 41.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.483 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 30.3 ttm-85 -143.09 106.84 4.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.622 ' CG ' ' CE1' ' A' ' 33' ' ' HIS . 17.5 tttt -98.59 133.56 42.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.462 ' CD2' ' HG2' ' A' ' 32' ' ' GLN . 1.3 mm? -127.8 105.87 8.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.532 ' CG2' ' NE2' ' A' ' 33' ' ' HIS . 23.4 t -113.56 136.94 48.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . 0.579 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 71.6 ttt180 -87.73 149.01 24.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 4.7 t -161.09 102.05 1.26 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.981 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -173.98 172.19 45.11 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 174.04 13.47 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.447 1.762 . . . . 0.0 111.033 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.28 135.58 15.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 110.026 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.02 115.29 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.964 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.535 1.147 . . . . 0.0 110.96 179.958 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.6 t -179.09 87.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 0.77 . . . . 0.0 110.001 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.37 138.96 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.004 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.41 105.37 0.19 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.534 1.146 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.3 t -152.38 137.26 17.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 0.779 . . . . 0.0 109.986 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.8 p -143.76 152.54 41.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.029 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.3 108.91 0.49 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.512 1.132 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -133.71 151.04 51.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 0.745 . . . . 0.0 110.36 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.7 t -161.47 156.24 23.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.971 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -170.78 164.89 8.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -146.58 100.1 0.22 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -149.7 -139.26 3.05 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 144.03 164.19 10.3 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.8 m -73.02 -59.2 2.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 0.732 . . . . 0.0 109.988 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 72.4 t 43.04 89.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.5 p -61.69 170.18 2.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 110.388 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -110.26 152.98 25.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.73 172.55 13.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.354 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 55.99 103.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 110.3 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.75 115.71 16.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.8 tp -149.74 139.26 21.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -158.91 146.26 17.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.8 m -128.05 146.9 50.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.017 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 56.1 p -102.33 68.57 1.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -102.49 130.4 49.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.28 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.6 m -81.62 -69.55 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.988 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 62.01 148.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 110.24 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.99 113.6 14.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.988 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.8 p -177.69 154.09 0.92 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.007 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.572 ' CE1' ' HG3' ' A' ' 145' ' ' ARG . 7.8 m-30 -39.23 152.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.934 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 144' ' ' VAL . 3.5 t -67.5 69.87 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.0 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.444 ' O ' ' CG ' ' A' ' 33' ' ' HIS . 53.2 mt-30 -48.63 148.29 2.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.444 ' CG ' ' O ' ' A' ' 32' ' ' GLN . 46.6 m-70 -162.57 78.86 0.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.578 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.473 ' CB ' ' HA ' ' A' ' 141' ' ' ARG . . . -102.18 160.19 14.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.53 108.34 2.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.359 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.3 149.34 26.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.393 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.5 OUTLIER -156.17 82.22 0.99 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 110.005 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 158.63 -140.41 6.91 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.456 ' CB ' ' HB3' ' A' ' 58' ' ' SER . 9.7 mtm180 -98.77 -39.42 8.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 0.787 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.452 ' CG2' ' HG2' ' A' ' 62' ' ' GLN . 83.0 t -89.71 165.84 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.433 ' N ' ' CG1' ' A' ' 40' ' ' VAL . . . -152.45 132.6 13.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.428 ' CG1' ' HD2' ' A' ' 141' ' ' ARG . 92.1 t -61.14 89.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -42.72 -71.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 45' ' ' VAL . 1.4 tp10 -156.68 138.07 13.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.401 ' N ' ' HG3' ' A' ' 44' ' ' GLU . 4.9 t -125.33 122.29 62.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.407 ' OD2' ' CE2' ' A' ' 51' ' ' PHE . 1.6 t0 -56.01 112.04 1.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.464 ' OE2' ' CZ ' ' A' ' 30' ' ' PHE . 4.6 pt-20 -57.31 -21.76 37.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 110.305 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -73.94 -27.05 60.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.335 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.11 61.58 1.48 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.6 mtpt -119.07 -44.21 2.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.0 109.271 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.626 ' CD2' ' CZ3' ' A' ' 98' ' ' TRP . 28.6 p90 -151.29 160.42 43.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.8 t -124.04 113.83 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.422 1.076 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.36 122.75 40.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.292 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.1 mt -121.4 130.52 53.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.103 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -121.71 148.48 44.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 -91.51 141.38 28.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -108.18 -29.12 9.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.456 ' HB3' ' CB ' ' A' ' 39' ' ' ARG . 93.6 p -64.96 152.27 43.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -87.44 -12.29 46.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.345 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -99.28 131.9 44.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -43.96 133.76 4.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.573 ' NE2' ' CZ2' ' A' ' 67' ' ' TRP . 47.9 tp60 -106.24 120.75 42.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.7 p -90.49 118.99 30.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.0 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.485 ' HA ' ' CD1' ' A' ' 67' ' ' TRP . 14.4 mtp -109.63 45.89 1.05 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.139 . . . . 0.0 110.959 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.521 ' O ' ' ND2' ' A' ' 66' ' ' ASN . . . -86.7 56.75 4.69 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.521 ' ND2' ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER 154.54 -23.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 109.319 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.573 ' CZ2' ' NE2' ' A' ' 62' ' ' GLN . 12.3 m0 -44.79 165.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -149.51 172.5 14.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.351 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.562 HD12 ' CZ ' ' A' ' 83' ' ' PHE . 9.0 mt -131.86 120.96 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' ' 129' ' ' ALA . 2.1 mtt-85 -97.37 119.98 36.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.329 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.498 ' CZ ' ' O ' ' A' ' 120' ' ' TRP . 15.7 tpt180 -126.6 118.29 24.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.6 tm0? -133.0 120.03 20.84 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -119.34 140.49 50.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.157 . . . . 0.0 109.349 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -49.59 155.49 2.14 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 49.86 56.45 7.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 174.96 163.11 0.38 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -174.61 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.494 1.786 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.3 tp -114.33 126.63 55.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.263 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.415 ' CG ' ' HB3' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -108.8 148.13 31.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 110.973 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 14.2 m -132.54 104.97 6.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.379 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.401 ' O ' ' CD2' ' A' ' 81' ' ' TYR . 46.5 t80 -87.71 99.97 12.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 111.038 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.2 ttp-105 -82.26 120.97 26.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.562 ' CZ ' HD12 ' A' ' 69' ' ' ILE . 22.9 m-85 -65.14 166.8 11.62 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.969 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 149.03 36.09 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.481 1.78 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.413 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.2 Cg_endo -74.98 4.13 5.0 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.479 1.779 . . . . 0.0 110.967 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.12 48.76 2.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -129.12 134.81 48.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.9 m -134.79 106.7 7.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.447 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.403 ' HB2' ' SD ' ' A' ' 64' ' ' MET . 55.8 tp -85.92 93.6 8.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -44.87 166.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.263 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.446 ' O ' ' NE2' ' A' ' 93' ' ' GLN . . . -78.49 134.25 37.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.73 6.79 87.21 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.491 1.119 . . . . 0.0 111.045 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' A' ' 91' ' ' ALA . 1.1 mp0 -92.59 169.78 10.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.415 HG21 ' N ' ' A' ' 95' ' ' VAL . 12.5 p -140.32 158.42 25.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.415 ' N ' HG21 ' A' ' 94' ' ' VAL . 2.5 p -147.66 145.23 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 13.7 m -118.36 127.54 53.78 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.108 . . . . 0.0 110.39 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 4.1 mp -110.66 84.99 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.626 ' CZ3' ' CD2' ' A' ' 51' ' ' PHE . 27.0 m95 -71.89 165.22 24.59 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 101' ' ' GLY . . . -105.48 142.18 35.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 99' ' ' ALA . 13.4 t -38.47 -30.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.001 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 99' ' ' ALA . . . -112.22 65.27 0.26 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -147.91 23.92 1.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.775 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 39.6 38.4 1.03 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.141 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.461 ' CB ' ' CB ' ' A' ' 98' ' ' TRP . . . -91.74 -161.45 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.757 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -154.03 123.13 6.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.406 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.506 ' NE2' ' HG3' ' A' ' 108' ' ' PRO . 20.3 t60 -60.76 96.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.62 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.447 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 0.5 OUTLIER -133.83 62.48 58.31 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.014 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.561 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.4 Cg_endo -75.0 170.77 19.7 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.533 1.807 . . . . 0.0 110.999 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.561 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.2 Cg_endo -75.03 -14.38 23.19 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 121.001 -2.5 . . . . 0.0 110.983 0.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 107' ' ' SER . 62.1 p -53.64 -71.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.394 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 108' ' ' PRO . 3.2 m-20 -96.57 148.5 22.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.54 ' CD2' ' HB3' ' A' ' 108' ' ' PRO . 14.7 mt -142.0 157.82 44.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.42 HG23 ' N ' ' A' ' 106' ' ' HIS . 57.0 t -127.6 125.79 66.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.517 ' CE2' ' HB2' ' A' ' 117' ' ' GLN . 6.1 t90 -82.86 102.15 11.45 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -78.78 -38.12 39.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.245 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -53.33 -49.56 66.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.517 ' HB2' ' CE2' ' A' ' 114' ' ' TRP . 0.8 OUTLIER -106.86 175.38 5.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.27 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -136.72 17.4 3.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 5.9 t -175.76 144.53 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.396 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.498 ' O ' ' CZ ' ' A' ' 71' ' ' ARG . 52.4 m95 -92.25 19.03 7.41 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . 0.462 ' O ' ' NH2' ' A' ' 71' ' ' ARG . . . 70.27 128.67 0.06 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.132 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 26.2 p -112.62 -166.03 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 123.16 161.53 11.22 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.453 1.095 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.3 p -63.61 -22.85 67.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.74 . . . . 0.0 110.025 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 68.6 p -118.55 129.0 55.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.033 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -139.87 147.82 41.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.405 ' HB2' ' NH1' ' A' ' 127' ' ' ARG . 18.8 ttm105 -148.57 97.99 2.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.419 ' OG1' ' HD3' ' A' ' 71' ' ' ARG . 3.3 m -91.97 157.14 16.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.08 . . . . 0.0 110.402 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -156.58 153.27 28.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 13.8 tp -120.75 131.6 54.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.407 ' CD1' ' HA ' ' A' ' 137' ' ' GLU . 23.5 mm -113.58 147.94 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 136' ' ' GLU . 7.9 p30 -98.66 -168.25 1.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.43 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . 0.1 OUTLIER -38.23 -59.6 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.023 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 136' ' ' GLU . 5.7 t -81.47 160.84 23.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 110.395 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -67.82 63.94 0.32 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.559 1.162 . . . . 0.0 111.039 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . 0.445 ' O ' ' ND2' ' A' ' 132' ' ' ASN . 17.0 tt0 -141.94 134.35 28.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 0.761 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.424 ' HG2' ' N ' ' A' ' 138' ' ' VAL . 10.8 tt0 -76.81 143.57 39.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.571 1.169 . . . . 0.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 37' ' ' SER . 1.1 m -114.05 -33.96 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -144.65 157.29 44.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 13.7 ptm -140.43 154.34 46.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.473 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 18.0 ttm-85 -139.81 89.18 2.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 48.6 tttt -79.48 145.05 33.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 109.26 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.412 ' CD1' ' HG2' ' A' ' 141' ' ' ARG . 0.2 OUTLIER -150.09 118.29 6.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.479 ' O ' ' N ' ' A' ' 31' ' ' SER . 5.0 t -126.83 124.05 64.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . 0.572 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 48.7 ttt85 -77.01 139.61 40.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 27.9 t -81.68 126.67 32.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.022 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 179.55 168.25 38.13 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.542 1.151 . . . . 0.0 110.957 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 157.8 42.75 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 111.04 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -135.03 102.74 5.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 80.6 p -169.03 135.55 1.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.01 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.531 1.145 . . . . 0.0 110.991 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t 67.28 144.9 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 0.776 . . . . 0.0 109.994 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.7 p 178.94 170.16 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.992 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.31 175.14 37.94 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.08 172.43 7.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 m -127.07 79.45 1.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.99 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 47.16 -174.6 0.01 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.509 1.13 . . . . 0.0 110.962 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 178.28 163.44 0.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 0.776 . . . . 0.0 110.243 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.5 t -168.4 115.87 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.974 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -138.88 157.53 45.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -144.05 179.21 21.54 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.531 1.144 . . . . 0.0 111.036 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 158.39 140.11 2.84 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -145.15 179.76 22.03 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.29 160.01 0.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 0.744 . . . . 0.0 110.002 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.4 m -113.37 -40.39 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.5 m 44.95 77.77 0.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 110.426 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.67 135.29 53.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.1 tptm -130.11 175.63 8.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.34 160.68 32.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.31 79.16 4.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -171.68 107.08 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -48.43 141.64 6.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.282 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.7 p -135.24 -50.66 0.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.987 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.8 m 50.16 79.99 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.002 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -46.49 134.0 9.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.6 t -167.55 149.91 5.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.004 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 63.27 125.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.3 t -105.61 97.2 7.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.964 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 30' ' ' PHE . 6.8 p 176.65 88.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.017 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.536 ' CE1' ' HG3' ' A' ' 145' ' ' ARG . 7.3 m-30 58.79 150.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 144' ' ' VAL . 16.7 m -68.55 66.59 0.12 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.006 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 30' ' ' PHE . 44.2 mt-30 -45.83 149.03 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.268 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 39.0 m-70 -157.42 77.7 0.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.641 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -89.96 163.16 15.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.0 100.81 0.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.34 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.89 148.66 26.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 110.396 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.9 OUTLIER -156.03 81.94 1.0 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.015 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.68 -128.44 2.0 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.431 1.082 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.2 mtm-85 -114.61 -37.41 4.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 110.32 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.455 ' CG2' ' OE1' ' A' ' 62' ' ' GLN . 40.7 t -92.79 146.98 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.445 ' N ' HG11 ' A' ' 40' ' ' VAL . . . -135.02 136.4 42.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.252 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.406 ' CG1' HG21 ' A' ' 45' ' ' VAL . 30.7 t -64.19 90.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.76 -69.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 110.308 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -156.02 127.63 7.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.468 HG23 ' CG1' ' A' ' 52' ' ' VAL . 9.1 t -117.36 110.16 30.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -50.53 112.41 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.335 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.498 ' OE1' ' CD2' ' A' ' 30' ' ' PHE . 7.7 pt-20 -59.96 -36.87 78.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -57.74 -23.86 54.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.285 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 85.04 67.04 1.42 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -123.77 -45.09 2.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 0.795 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.558 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 45.7 p90 -156.34 156.95 34.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.554 ' CG2' ' CE2' ' A' ' 120' ' ' TRP . 24.4 t -120.06 115.98 49.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.353 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.71 122.83 44.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.488 ' CD1' HD12 ' A' ' 69' ' ' ILE . 4.4 mt -120.5 136.29 54.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -127.65 147.69 50.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.267 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.442 ' OD1' ' N ' ' A' ' 57' ' ' LYS . 54.2 t-20 -89.43 143.66 26.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.09 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.442 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 3.1 mmtp -108.53 -28.83 9.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 72.3 p -61.26 174.1 0.75 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.96 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.478 ' C ' ' CB ' ' A' ' 91' ' ' ALA . 1.6 p30 -103.0 -18.68 14.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -103.67 137.02 42.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.332 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.37 134.81 6.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.65 ' NE2' ' CZ2' ' A' ' 67' ' ' TRP . 0.9 OUTLIER -95.3 126.91 40.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.464 ' N ' HE21 ' A' ' 62' ' ' GLN . 0.7 OUTLIER -88.67 92.12 9.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.997 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.579 ' HA ' ' CD1' ' A' ' 67' ' ' TRP . 4.9 mtp -88.63 53.19 2.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -89.77 115.79 4.62 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.5 OUTLIER 82.19 6.25 1.04 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 0.763 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.65 ' CZ2' ' NE2' ' A' ' 62' ' ' GLN . 11.3 m0 -67.96 169.35 10.12 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 131' ' ' ILE . 8.8 mt-30 -152.52 166.45 31.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.507 ' CD1' ' CE2' ' A' ' 83' ' ' PHE . 1.2 mt -132.95 107.4 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 129' ' ' ALA . 3.9 mtt-85 -75.5 146.53 40.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.369 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.408 ' CZ ' ' HB3' ' A' ' 120' ' ' TRP . 4.3 tpt180 -144.49 89.55 2.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.357 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.7 tm0? -97.91 107.31 19.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 0.0 110.296 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -108.15 149.39 28.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -70.04 147.5 44.69 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.526 1.141 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.7 t70 49.81 54.89 10.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 0.779 . . . . 0.0 109.335 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -179.67 167.32 0.82 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 164.56 33.13 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.551 1.817 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.1 tp -103.91 121.83 43.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -105.49 159.0 16.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.961 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.9 m -144.12 94.62 2.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.401 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.426 ' CD1' HD13 ' A' ' 69' ' ' ILE . 58.4 t80 -67.09 99.02 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 111.003 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.5 124.07 29.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.267 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.507 ' CE2' ' CD1' ' A' ' 69' ' ' ILE . 25.7 m-85 -75.61 168.68 25.57 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.442 ' HD2' ' HB3' ' A' ' 83' ' ' PHE . 18.4 Cg_endo -74.96 163.72 34.84 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.541 1.811 . . . . 0.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 0.37 8.98 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.506 1.793 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.07 68.62 1.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -129.41 90.71 3.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.88 113.74 25.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.37 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 53.6 tp -94.35 95.77 9.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -41.06 160.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.251 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.478 ' CB ' ' C ' ' A' ' 59' ' ' ASN . . . -76.15 135.64 39.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.96 7.74 81.83 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -92.59 171.69 8.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 110.272 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.9 p -137.98 160.01 33.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.3 p -145.99 136.9 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.509 HG22 ' CE2' ' A' ' 98' ' ' TRP . 33.3 m -111.54 131.05 55.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.378 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.4 HD13 ' N ' ' A' ' 97' ' ' ILE . 4.4 mp -116.32 82.07 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.649 ' CG ' ' CB ' ' A' ' 104' ' ' ALA . 47.0 m95 -67.16 162.42 22.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 107.989 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 100' ' ' SER . . . -107.48 142.67 36.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 99' ' ' ALA . 5.3 t -38.79 -45.95 1.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.98 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -49.04 -59.21 7.06 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.77 162.26 1.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 0.757 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -97.88 48.9 1.44 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.649 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -83.12 -172.66 4.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 0.742 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.27 125.78 19.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.411 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.487 ' NE2' ' HG3' ' A' ' 108' ' ' PRO . 19.8 t60 -59.6 94.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.578 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.76 68.58 79.07 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.533 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.4 Cg_endo -74.98 169.31 22.91 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.481 1.78 . . . . 0.0 111.03 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.533 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -75.04 -17.22 20.34 Favored 'Cis proline' 0 C--N 1.361 1.186 0 C-N-CA 120.946 -2.523 . . . . 0.0 110.98 0.053 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 40.7 p -55.38 -88.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.437 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -72.12 147.68 46.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.446 ' CD2' ' HB3' ' A' ' 108' ' ' PRO . 16.9 mt -144.4 165.16 28.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 72.0 t -135.09 123.75 40.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.472 ' CD2' ' HB2' ' A' ' 117' ' ' GLN . 5.1 t90 -85.33 93.05 8.62 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -77.89 -37.6 47.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -52.3 -43.18 64.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.472 ' HB2' ' CD2' ' A' ' 114' ' ' TRP . 1.2 mm100 -105.26 175.01 5.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 110.274 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -114.91 -16.08 11.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 8.9 t -174.47 144.79 0.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.411 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.554 ' CE2' ' CG2' ' A' ' 52' ' ' VAL . 77.5 m95 -60.25 -17.96 45.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 107.988 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 103.54 163.02 25.26 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . 0.483 ' HA ' ' CD2' ' A' ' 126' ' ' LEU . 1.2 p -159.07 -178.64 7.37 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 125' ' ' SER . . . 131.63 42.72 0.18 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.53 1.144 . . . . 0.0 110.944 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.452 ' CB ' ' HB3' ' A' ' 145' ' ' ARG . 0.1 OUTLIER 67.6 -65.93 0.22 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 0.764 . . . . 0.0 110.049 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 123' ' ' GLY . 22.4 p -76.42 122.84 25.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.997 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.483 ' CD2' ' HA ' ' A' ' 122' ' ' CYS . 0.7 OUTLIER -140.78 146.62 37.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 39.9 ttt180 -148.86 96.28 2.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.28 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 52.1 m -95.46 153.41 17.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 110.399 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 70' ' ' ARG . . . -158.85 156.35 29.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.425 ' O ' ' HA ' ' A' ' 137' ' ' GLU . 13.3 tp -116.88 127.98 54.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.474 ' O ' ' N ' ' A' ' 68' ' ' GLN . 18.0 mm -115.92 113.52 43.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.494 ' H ' ' ND2' ' A' ' 132' ' ' ASN . 0.9 OUTLIER -63.29 178.55 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 132' ' ' ASN . 0.0 OUTLIER -35.88 -50.0 0.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.965 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 136' ' ' GLU . 10.7 p -83.52 159.8 21.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 110.399 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -68.42 60.02 0.44 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.473 1.108 . . . . 0.0 110.957 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . 0.452 ' O ' ' ND2' ' A' ' 132' ' ' ASN . 20.1 tt0 -137.65 142.11 41.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.761 . . . . 0.0 110.257 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.425 ' HA ' ' O ' ' A' ' 130' ' ' LEU . 6.8 tt0 -90.71 140.03 30.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.259 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' ' 37' ' ' SER . 2.9 m -109.04 -39.74 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.36 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -143.59 159.53 42.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 15.0 ptm -145.66 140.13 27.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.981 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 18.5 ttt85 -126.42 89.98 3.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -82.14 150.19 27.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -157.0 116.82 3.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.469 ' O ' ' N ' ' A' ' 31' ' ' SER . 12.2 t -126.88 127.02 69.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . 0.536 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 71.5 ttt180 -77.29 151.0 35.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.302 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 1.3 t -96.3 120.44 36.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.001 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -172.84 173.84 45.63 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.53 1.143 . . . . 0.0 111.019 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 161.5 38.59 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.51 1.795 . . . . 0.0 110.968 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 36.2 t -104.46 108.25 19.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.03 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 7.8 p -116.01 120.2 38.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.976 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.515 1.135 . . . . 0.0 110.98 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t -175.92 159.64 2.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 0.758 . . . . 0.0 110.031 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -166.37 169.08 14.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.97 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.82 -172.37 19.86 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.452 1.095 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -178.02 170.68 1.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 0.758 . . . . 0.0 109.984 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.1 p -173.66 169.02 4.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.059 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.6 171.21 37.52 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.542 1.151 . . . . 0.0 110.983 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -177.02 169.84 2.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 0.794 . . . . 0.0 110.304 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.8 p -161.41 169.5 21.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.005 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.1 pm0 -172.01 157.86 4.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.302 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.08 178.62 37.83 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.486 1.116 . . . . 0.0 110.959 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -126.04 -173.88 13.72 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -171.92 -157.23 13.34 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.45 127.03 0.53 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 0.751 . . . . 0.0 109.998 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.7 m -108.65 141.62 23.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.1 t -174.47 157.96 2.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.404 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.95 113.45 10.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -149.66 128.26 12.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -93.89 106.29 18.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.21 134.27 0.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.5 -63.44 1.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -168.61 115.84 0.66 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.25 82.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 109.98 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.5 t 39.72 86.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.965 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -121.33 92.82 3.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.258 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.29 142.22 39.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.029 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.3 mtt-85 -143.05 109.69 5.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.304 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.13 -61.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.03 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.434 ' O ' ' O ' ' A' ' 30' ' ' PHE . 34.7 p -162.56 115.26 1.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 110.038 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.597 ' CD2' ' CD ' ' A' ' 47' ' ' GLU . 9.6 m-30 58.31 146.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 111.033 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 144' ' ' VAL . 4.3 t -67.49 68.92 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 110.012 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.473 ' HG2' ' CD1' ' A' ' 143' ' ' LEU . 26.0 mt-30 -52.65 130.06 31.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.624 ' CD2' ' HB3' ' A' ' 142' ' ' LYS . 0.0 OUTLIER -153.44 111.75 3.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 109.574 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.494 ' CB ' ' HA ' ' A' ' 141' ' ' ARG . . . -129.7 163.8 25.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -143.81 112.45 6.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 110.285 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -92.51 147.51 22.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.424 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.4 OUTLIER -155.68 81.76 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.038 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.9 -144.21 9.87 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.8 mtm-85 -97.75 -36.6 10.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 0.736 . . . . 0.0 110.333 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 95.5 t -95.39 160.34 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.424 ' HB2' ' NZ ' ' A' ' 57' ' ' LYS . . . -147.33 153.4 39.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.6 t -78.74 88.56 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.22 -60.96 0.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.332 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -168.17 133.48 1.82 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.466 HG23 ' CG1' ' A' ' 52' ' ' VAL . 7.1 t -120.13 109.73 26.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -44.71 115.1 0.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.597 ' CD ' ' CD2' ' A' ' 30' ' ' PHE . 6.2 pt-20 -58.86 -35.79 73.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 110.302 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.99 -28.43 67.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.05 67.04 1.26 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.525 1.141 . . . . 0.0 111.01 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.467 ' HD2' ' CB ' ' A' ' 102' ' ' ALA . 0.1 OUTLIER -123.04 -52.25 1.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 0.808 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.573 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 27.5 p90 -144.13 156.71 44.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.466 ' CG1' HG23 ' A' ' 45' ' ' VAL . 44.8 t -118.24 114.61 45.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.16 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -97.27 128.22 43.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.247 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.401 HD12 ' CD1' ' A' ' 97' ' ' ILE . 6.6 mt -126.33 131.14 51.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -120.69 147.85 44.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.297 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -98.47 109.88 22.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.472 ' N ' ' HD2' ' A' ' 57' ' ' LYS . 0.8 OUTLIER -76.4 -36.25 58.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 84.0 p -59.16 153.79 17.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.022 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.41 27.89 4.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.123 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -134.64 133.47 40.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -54.99 115.42 2.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.08 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.424 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 73.4 tp60 -100.52 118.89 37.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.34 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.64 145.06 43.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 109.965 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.431 ' SD ' ' CE3' ' A' ' 67' ' ' TRP . 0.3 OUTLIER -133.01 34.5 3.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.954 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.477 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -78.82 56.57 4.26 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER 158.04 -26.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 0.729 . . . . 0.0 109.352 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.431 ' CE3' ' SD ' ' A' ' 64' ' ' MET . 13.7 m0 -44.09 162.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 108.007 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -146.12 170.0 17.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.295 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.571 HD12 ' CZ ' ' A' ' 83' ' ' PHE . 4.6 mt -132.34 118.28 35.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.406 ' NE ' HD22 ' A' ' 78' ' ' LEU . 0.3 OUTLIER -97.65 128.61 44.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.575 1.172 . . . . 0.0 110.268 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -131.06 121.38 24.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -129.52 115.37 17.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.444 ' ND2' ' C ' ' A' ' 121' ' ' GLY . 0.8 OUTLIER -114.07 133.56 55.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 37.84 -139.45 0.53 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.63 73.97 2.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 109.33 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.43 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 0.2 OUTLIER -132.26 174.66 4.44 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.43 ' CD ' ' CB ' ' A' ' 76' ' ' ASP . 18.2 Cg_endo -74.98 114.03 3.93 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.406 HD22 ' NE ' ' A' ' 70' ' ' ARG . 10.0 tp -53.07 127.23 23.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -108.83 126.23 52.82 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 56.4 m -114.52 100.63 8.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.356 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.514 ' HB2' ' CH2' ' A' ' 114' ' ' TRP . 60.5 t80 -82.57 98.96 9.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -76.8 124.67 28.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.571 ' CZ ' HD12 ' A' ' 69' ' ' ILE . 13.7 m-85 -68.68 167.85 17.45 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.401 ' O ' ' HA2' ' A' ' 65' ' ' GLY . 18.3 Cg_endo -74.94 146.51 33.0 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.484 1.781 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.415 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.4 Cg_endo -74.97 11.61 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.536 1.809 . . . . 0.0 111.033 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.83 47.54 2.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -128.55 147.85 50.73 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.1 m -147.39 112.66 5.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 110.429 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 47.8 tp -84.06 98.09 9.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -49.59 170.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -82.75 134.5 35.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 71.69 6.08 62.13 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -89.63 174.57 7.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 0.768 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 11.3 p -142.15 157.23 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.402 ' CG2' ' O ' ' A' ' 110' ' ' THR . 14.4 p -142.56 148.63 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.9 m -122.75 130.5 53.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.391 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.411 ' N ' HD12 ' A' ' 97' ' ' ILE . 4.6 mp -116.09 80.85 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.611 ' CG ' ' CB ' ' A' ' 104' ' ' ALA . 34.8 m95 -67.05 162.91 21.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 107.979 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -107.94 145.11 34.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.2 t -38.83 -57.99 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -43.59 -53.45 6.06 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.467 ' CB ' ' HD2' ' A' ' 50' ' ' LYS . . . -54.83 148.05 13.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 0.754 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -88.46 42.68 3.08 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.531 1.145 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.611 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -76.99 174.61 10.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -125.69 116.02 21.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 110.396 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -53.26 111.5 0.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.589 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.494 ' CB ' ' HB2' ' A' ' 111' ' ' ASP . 0.2 OUTLIER -144.28 68.66 15.55 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.011 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.525 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.2 Cg_endo -74.97 169.76 21.91 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.514 1.797 . . . . 0.0 110.979 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.525 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -74.95 -10.11 23.97 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.041 -2.483 . . . . 0.0 110.998 -0.051 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 107' ' ' SER . 34.4 p -60.96 -82.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.403 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.494 ' HB2' ' CB ' ' A' ' 107' ' ' SER . 77.9 m-20 -73.08 146.07 46.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.095 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.469 ' CD2' ' HB3' ' A' ' 108' ' ' PRO . 13.4 mt -143.92 149.07 36.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.336 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 53.9 t -122.13 117.61 52.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.514 ' CH2' ' HB2' ' A' ' 81' ' ' TYR . 6.4 t90 -79.45 99.08 7.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 108.017 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -80.78 -44.39 18.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -43.47 -43.84 5.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.485 ' HB2' ' CD2' ' A' ' 114' ' ' TRP . 0.9 OUTLIER -100.22 176.02 5.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.305 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -114.85 -20.39 10.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 9.1 t -170.22 156.93 6.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.42 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 61.3 m95 -75.16 -21.9 58.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 108.008 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . 0.444 ' C ' ' ND2' ' A' ' 73' ' ' ASN . . . 108.61 145.94 11.71 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 6.0 p -118.05 -172.04 2.18 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 124.75 140.99 5.59 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 24.1 p -43.06 -46.91 5.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 109.996 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.0 m -100.41 127.12 46.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.143 . . . . 0.0 109.971 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.418 HD21 ' ND2' ' A' ' 73' ' ' ASN . 0.3 OUTLIER -134.53 146.08 49.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -143.3 122.8 13.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 23.0 m -120.39 163.48 17.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.421 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -158.44 153.44 25.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.251 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 13.3 tp -120.82 131.0 54.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 12.7 mm -112.6 147.25 16.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.456 ' O ' ' C ' ' A' ' 133' ' ' SER . 7.2 p30 -101.44 -170.16 1.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 132' ' ' ASN . 6.9 p -34.28 -60.08 0.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.996 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 136' ' ' GLU . 2.3 t -83.13 162.31 21.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 110.356 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -68.29 59.46 0.42 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.451 1.094 . . . . 0.0 111.004 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 134' ' ' THR . 20.9 tt0 -133.54 141.23 47.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 0.775 . . . . 0.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.433 ' HG2' ' N ' ' A' ' 138' ' ' VAL . 1.9 tt0 -87.68 141.94 28.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 37' ' ' SER . 3.3 m -109.62 -36.46 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -150.32 158.21 43.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 19.2 ptm -145.11 137.46 25.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.494 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 18.8 ttm-85 -118.17 117.61 29.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.253 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.624 ' HB3' ' CD2' ' A' ' 33' ' ' HIS . 10.5 tttt -108.13 131.64 54.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.473 ' CD1' ' HG2' ' A' ' 32' ' ' GLN . 1.0 OUTLIER -128.13 107.3 9.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.496 ' O ' ' N ' ' A' ' 31' ' ' SER . 2.4 t -115.51 133.27 62.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . 0.573 ' HA ' ' CD1' ' A' ' 30' ' ' PHE . 44.5 ttt180 -85.37 137.18 33.11 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 34.2 t -92.09 102.34 14.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.982 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -170.18 -144.21 4.23 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 159.02 41.97 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.478 1.778 . . . . 0.0 111.036 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.93 -61.11 1.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.018 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 98.1 p -160.92 94.91 1.04 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.029 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.4 t -179.96 103.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 0.767 . . . . 0.0 109.996 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -178.24 164.28 1.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.002 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.92 173.17 23.77 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.08 128.3 20.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 0.756 . . . . 0.0 109.98 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t -93.47 148.25 22.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.986 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -44.54 162.04 0.08 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.474 1.109 . . . . 0.0 110.973 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -157.01 86.02 0.96 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 0.748 . . . . 0.0 110.299 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.77 95.27 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.019 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.84 169.09 15.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -102.14 -119.63 4.58 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 141.14 162.63 9.2 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -125.17 -166.97 12.48 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.95 88.95 1.56 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 0.783 . . . . 0.0 110.019 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 68.2 t -123.1 90.27 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 67.2 p -101.92 116.45 32.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 110.422 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -165.6 136.6 3.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.86 119.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.2 mtm-85 -158.73 93.33 1.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.321 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.61 48.15 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.3 mt -121.76 134.25 54.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -166.85 147.47 5.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.262 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 92.4 p -152.78 132.48 13.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.042 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 72.8 m -143.99 129.51 19.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 110.015 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -120.1 153.34 36.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.61 -60.36 1.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.015 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -56.5 153.9 9.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 110.325 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 t -178.79 141.38 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.018 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -88.59 155.12 19.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.955 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.598 ' CD2' ' OE1' ' A' ' 47' ' ' GLU . 7.9 m-30 58.37 152.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.478 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 25.2 m -68.21 66.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.992 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.479 ' NE2' ' NH1' ' A' ' 141' ' ' ARG . 0.1 OUTLIER -47.17 145.12 2.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.319 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.478 ' CD2' ' O ' ' A' ' 31' ' ' SER . 76.1 m-70 -155.85 74.71 0.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.61 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.482 ' CB ' ' HA ' ' A' ' 141' ' ' ARG . . . -103.97 151.86 22.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.0 mmt85 -153.91 117.27 4.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.252 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.06 148.18 22.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.36 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 138' ' ' VAL . 5.6 m -156.25 82.11 0.99 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.95 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 164.62 -145.06 9.91 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -94.65 -39.41 10.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 0.793 . . . . 0.0 110.316 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.472 ' CG2' ' HG3' ' A' ' 62' ' ' GLN . 48.8 t -97.71 165.04 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.462 ' N ' ' CG1' ' A' ' 40' ' ' VAL . . . -145.41 158.06 43.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.6 t -82.72 85.15 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.245 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -39.6 -69.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.239 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -156.74 130.93 8.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.279 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.48 HG21 ' CG1' ' A' ' 52' ' ' VAL . 10.9 t -120.61 106.15 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.58 110.71 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.598 ' OE1' ' CD2' ' A' ' 30' ' ' PHE . 7.5 pt-20 -56.8 -36.81 70.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.326 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -58.81 -16.53 17.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.42 58.47 3.11 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.468 1.105 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.0 mtmm -111.26 -46.81 3.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 0.781 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.548 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 49.6 p90 -156.89 155.43 31.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 110.983 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.48 ' CG1' HG21 ' A' ' 45' ' ' VAL . 34.2 t -116.7 112.98 41.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.506 ' CG ' ' OG1' ' A' ' 96' ' ' THR . 0.0 OUTLIER -101.78 126.56 48.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.312 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.8 mt -121.64 134.54 54.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.348 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -121.37 150.25 41.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 110.263 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 58' ' ' SER . 31.6 t-20 -93.82 142.91 26.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -112.37 -32.31 6.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.25 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.449 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 1.4 t -61.1 169.78 1.9 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.546 1.153 . . . . 0.0 110.02 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.505 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 2.5 p30 -94.71 -26.12 16.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -97.92 136.9 37.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -42.71 157.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.489 ' NE2' ' N ' ' A' ' 63' ' ' SER . 0.0 OUTLIER -119.26 100.6 7.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.279 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.489 ' N ' ' NE2' ' A' ' 62' ' ' GLN . 5.8 p -64.36 113.59 3.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.037 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.492 ' HE2' ' CE2' ' A' ' 83' ' ' PHE . 0.4 OUTLIER -110.34 45.28 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 111.004 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.477 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -86.88 54.29 4.57 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER 157.77 -26.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 0.797 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.461 ' CE2' ' OE1' ' A' ' 62' ' ' GLN . 11.5 m0 -44.04 163.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 107.973 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -147.82 171.92 14.96 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.578 HD13 ' CZ ' ' A' ' 83' ' ' PHE . 4.2 mt -131.7 121.21 47.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.09 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.492 ' HG3' ' CG1' ' A' ' 131' ' ' ILE . 3.9 mtp85 -93.63 145.38 24.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.329 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.42 ' NH1' ' OG1' ' A' ' 128' ' ' THR . 0.1 OUTLIER -145.07 107.25 4.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -115.72 96.2 5.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -96.31 145.81 25.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -63.74 150.65 49.77 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.443 1.089 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.7 t0 49.49 37.36 12.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -156.48 160.64 30.61 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 164.81 32.61 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.483 1.78 . . . . 0.0 110.979 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 14.9 tp -94.71 126.58 40.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.1 mpp? -116.22 157.09 25.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.964 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 73.0 m -140.93 114.41 8.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.427 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -93.05 98.02 11.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.31 123.63 27.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.578 ' CZ ' HD13 ' A' ' 69' ' ' ILE . 15.2 m-85 -69.94 166.43 32.83 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.988 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.466 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.3 Cg_endo -75.01 146.1 32.19 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.492 1.785 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.408 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.5 Cg_endo -74.97 18.27 0.54 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.477 1.777 . . . . 0.0 111.024 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.466 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.0 OUTLIER -140.34 43.38 1.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -123.39 149.16 45.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 m -149.4 112.68 4.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.428 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.436 ' CD2' HG23 ' A' ' 40' ' ' VAL . 44.6 tp -86.39 93.48 9.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -45.17 166.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 59' ' ' ASN . . . -79.46 135.85 36.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.33 3.02 64.49 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -88.02 175.3 7.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 0.0 110.247 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.424 HG21 ' N ' ' A' ' 95' ' ' VAL . 11.9 p -145.91 154.07 13.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.538 1.149 . . . . 0.0 109.254 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.424 ' N ' HG21 ' A' ' 94' ' ' VAL . 8.6 p -141.2 146.39 23.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.506 ' OG1' ' CG ' ' A' ' 53' ' ' ARG . 93.0 m -120.0 131.68 55.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 110.415 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 4.6 mp -117.54 79.89 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.548 ' CE3' ' HB3' ' A' ' 51' ' ' PHE . 43.7 m95 -64.17 164.85 10.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 108.008 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 100' ' ' SER . . . -109.89 144.42 38.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 99' ' ' ALA . 3.3 t -37.5 -59.31 0.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.994 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 118' ' ' ASN . . . -37.34 -65.77 0.59 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 111.034 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.5 150.56 1.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 0.754 . . . . 0.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -91.21 45.89 2.83 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.447 1.092 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.516 ' HB2' ' CD2' ' A' ' 98' ' ' TRP . . . -74.25 -177.95 3.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 0.763 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.49 115.77 16.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.447 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -55.03 109.72 0.56 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.614 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.489 ' CB ' ' HB2' ' A' ' 111' ' ' ASP . 0.3 OUTLIER -141.62 68.02 24.69 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.045 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.52 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.2 Cg_endo -75.01 169.25 23.03 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.504 1.791 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.52 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -75.04 -13.14 23.89 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 120.981 -2.508 . . . . 0.0 111.028 0.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.503 ' OG1' ' N ' ' A' ' 111' ' ' ASP . 44.8 p -57.37 -80.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.398 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.503 ' N ' ' OG1' ' A' ' 110' ' ' THR . 37.2 m-20 -75.78 148.15 38.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.476 ' CD2' ' HB3' ' A' ' 108' ' ' PRO . 36.9 mt -145.32 148.77 33.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 49.5 t -123.32 119.63 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.325 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.498 ' CD2' ' HB2' ' A' ' 117' ' ' GLN . 7.2 t90 -81.69 98.23 8.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 107.955 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -78.73 -45.9 20.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -40.06 -52.81 2.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.498 ' HB2' ' CD2' ' A' ' 114' ' ' TRP . 0.8 OUTLIER -91.84 175.86 6.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.117 . . . . 0.0 110.284 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 101' ' ' GLY . 3.8 p30 -114.36 -26.54 7.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 11.6 t -164.4 134.5 4.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.152 . . . . 0.0 110.438 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 50.6 m95 -50.81 -36.65 38.28 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 119.74 137.67 5.53 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.536 1.147 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 27.7 p -113.49 -157.71 0.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 109.46 152.92 14.68 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 55.2 p -55.42 -42.56 74.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 110.026 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 6.5 m -96.23 119.14 34.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.978 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -135.72 145.63 46.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -150.36 112.37 4.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.333 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.42 ' OG1' ' NH1' ' A' ' 71' ' ' ARG . 36.7 m -111.17 151.35 28.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.422 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -146.42 162.46 38.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 12.5 tp -127.78 130.17 48.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.492 ' CG1' ' HG3' ' A' ' 70' ' ' ARG . 20.0 mm -105.74 154.05 7.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.571 ' OD1' ' N ' ' A' ' 132' ' ' ASN . 0.0 OUTLIER -110.51 -170.73 1.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 132' ' ' ASN . 24.1 p -36.49 -54.58 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.984 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 57.2 p -85.03 161.94 19.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 110.37 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -69.16 57.66 0.59 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.436 1.085 . . . . 0.0 111.027 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . 0.448 ' CG ' ' N ' ' A' ' 137' ' ' GLU . 21.1 tt0 -137.82 156.75 47.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.767 . . . . 0.0 110.356 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.448 ' N ' ' CG ' ' A' ' 136' ' ' GLU . 13.0 tt0 -95.36 136.19 36.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 110.272 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.457 ' CG1' ' CG ' ' A' ' 132' ' ' ASN . 1.9 m -111.41 -17.98 7.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -154.27 157.38 38.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 14.0 ptm -149.38 154.2 38.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.083 . . . . 0.0 111.005 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.482 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 13.7 ttm-85 -147.32 86.02 1.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.335 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 33.0 tttt -81.84 155.57 25.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.438 1.087 . . . . 0.0 109.287 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.403 ' HG ' ' CG ' ' A' ' 32' ' ' GLN . 0.2 OUTLIER -158.13 111.84 2.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 31' ' ' SER . 3.9 t -122.36 124.37 70.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . 0.577 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 69.1 ttt180 -81.78 140.76 34.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 13.1 t -49.17 109.21 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.98 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -58.16 -169.43 0.19 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.472 1.107 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -51.59 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.518 1.799 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.1 m -144.79 160.31 41.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.978 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.42 145.72 50.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.996 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.49 1.119 . . . . 0.0 111.056 -179.971 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -138.78 98.97 3.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 0.734 . . . . 0.0 109.995 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.0 p -114.09 99.04 7.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.992 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.0 -98.97 0.15 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.499 1.125 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 m -92.66 87.8 6.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.768 . . . . 0.0 109.951 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 m -128.64 143.84 51.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 109.995 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.9 88.47 0.39 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -162.46 169.62 20.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 0.737 . . . . 0.0 110.252 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.9 p -97.87 93.56 6.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.003 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -155.31 132.3 10.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 110.291 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.9 -69.52 0.82 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.459 1.1 . . . . 0.0 110.975 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 129.36 146.57 6.12 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -160.05 157.18 28.47 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 97.1 p -101.86 107.41 18.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 0.767 . . . . 0.0 109.977 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.2 p -71.76 163.57 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.4 m -108.53 136.54 47.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.38 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -79.19 147.96 32.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.62 123.79 48.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.243 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.6 mmt180 -69.66 145.7 52.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -117.39 95.44 4.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.6 tp -146.29 -63.99 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.333 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -134.45 -61.81 0.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.3 m 59.28 113.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.4 p -40.06 138.47 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.018 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.52 -60.0 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.35 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.5 m 60.89 168.84 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.087 . . . . 0.0 109.99 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -163.83 52.05 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m 64.83 162.64 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.032 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.442 ' O ' ' O ' ' A' ' 30' ' ' PHE . 13.6 p 50.84 87.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.022 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.584 ' CD2' ' CD ' ' A' ' 47' ' ' GLU . 9.5 m-30 57.72 147.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.508 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 45.1 m -69.73 70.04 0.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.012 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.455 ' HG2' ' CD2' ' A' ' 143' ' ' LEU . 69.6 mt-30 -43.37 142.41 1.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.508 ' CD2' ' O ' ' A' ' 31' ' ' SER . 61.9 m-70 -153.85 73.77 0.96 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.61 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.459 ' CB ' ' HA ' ' A' ' 141' ' ' ARG . . . -108.84 145.08 35.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.361 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.2 mmt85 -137.69 109.07 6.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.316 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.22 148.33 28.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.429 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 138' ' ' VAL . 1.3 m -155.81 81.96 1.02 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.435 1.085 . . . . 0.0 110.014 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.37 -134.16 3.63 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.583 1.177 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -106.49 -41.15 5.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 0.779 . . . . 0.0 110.336 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 97.7 t -94.19 152.0 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.84 145.8 42.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.353 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.447 ' CG1' HG23 ' A' ' 45' ' ' VAL . 47.2 t -72.66 86.1 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 42' ' ' VAL . 0.1 OUTLIER -37.24 -65.53 0.3 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -162.16 134.57 5.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.329 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.52 ' CG1' ' NH2' ' A' ' 71' ' ' ARG . 7.5 t -120.8 106.42 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -42.49 106.93 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.584 ' CD ' ' CD2' ' A' ' 30' ' ' PHE . 7.9 pt-20 -52.57 -40.66 62.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 110.267 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -54.34 -30.74 52.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 110.302 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.55 80.78 1.42 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.3 mtmt -139.59 -54.57 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 0.762 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.559 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 29.9 p90 -141.98 154.86 45.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.651 ' CG2' ' CE2' ' A' ' 120' ' ' TRP . 42.4 t -117.66 114.98 47.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.92 121.66 39.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.437 ' CD1' HD11 ' A' ' 69' ' ' ILE . 7.3 mt -119.34 131.38 55.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.429 ' NE ' ' HE2' ' A' ' 57' ' ' LYS . 0.3 OUTLIER -125.13 146.25 49.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -96.13 136.22 36.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.429 ' HE2' ' NE ' ' A' ' 55' ' ' ARG . 3.4 mmtt -105.12 -22.49 13.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 57.6 p -64.19 160.45 18.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.465 ' C ' ' CB ' ' A' ' 91' ' ' ALA . 2.9 t30 -88.05 -22.96 23.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -102.06 137.49 40.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -52.26 129.63 28.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 40.1 tp60 -99.26 114.92 28.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.9 t -76.63 120.92 22.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.995 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.519 ' HA ' ' CG ' ' A' ' 67' ' ' TRP . 20.1 mtp -100.86 44.22 1.02 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.472 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -77.63 114.2 3.94 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.5 OUTLIER 80.09 8.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 0.787 . . . . 0.0 109.278 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.519 ' CG ' ' HA ' ' A' ' 64' ' ' MET . 10.7 m0 -70.18 167.77 17.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 107.97 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -148.61 169.1 21.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.283 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.544 ' CD1' ' CE2' ' A' ' 83' ' ' PHE . 2.0 mt -137.56 110.24 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 129' ' ' ALA . 0.7 OUTLIER -78.48 147.21 34.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 110.298 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.52 ' NH2' ' CG1' ' A' ' 45' ' ' VAL . 5.0 tpp180 -149.79 118.82 6.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.326 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -126.53 141.35 51.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.369 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -141.49 129.78 22.33 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 37.68 -134.43 1.05 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -102.89 49.25 0.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 0.774 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.466 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 0.2 OUTLIER -106.85 176.56 1.6 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.466 ' CD ' ' CB ' ' A' ' 76' ' ' ASP . 18.4 Cg_endo -74.98 113.81 3.88 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.503 1.791 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.3 tp -60.76 124.28 19.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -107.04 152.01 24.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 93.7 m -135.0 102.09 5.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.404 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.412 ' CD1' HD12 ' A' ' 69' ' ' ILE . 41.0 t80 -72.76 105.9 4.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 111.026 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -82.33 141.4 32.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.26 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.544 ' CE2' ' CD1' ' A' ' 69' ' ' ILE . 14.0 m-85 -92.81 168.85 11.57 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.503 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.2 Cg_endo -75.0 152.55 40.88 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.537 1.809 . . . . 0.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 30.19 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.431 1.753 . . . . 0.0 111.022 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.503 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.0 OUTLIER -166.05 59.91 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -127.34 126.04 41.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.61 139.87 52.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.386 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.425 ' O ' ' O ' ' A' ' 90' ' ' LYS . 43.7 tp -118.27 91.14 3.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 89' ' ' LEU . 33.2 mtmt -42.91 165.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.465 ' CB ' ' C ' ' A' ' 59' ' ' ASN . . . -81.72 133.93 35.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.22 6.08 85.92 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.431 1.082 . . . . 0.0 111.059 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -90.91 173.12 8.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 0.769 . . . . 0.0 110.356 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.0 p -141.22 158.78 22.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.443 ' CG2' ' O ' ' A' ' 110' ' ' THR . 9.6 p -143.06 149.01 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 112' ' ' LEU . 1.6 m -122.79 128.61 50.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.381 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.428 ' CD1' ' O ' ' A' ' 52' ' ' VAL . 4.0 mp -115.46 82.18 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.569 ' CG ' ' CB ' ' A' ' 104' ' ' ALA . 46.0 m95 -68.4 163.8 22.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 108.013 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 100' ' ' SER . . . -111.21 143.02 42.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 99' ' ' ALA . 3.6 t -37.57 -51.04 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.987 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 118' ' ' ASN . . . -83.4 59.61 4.96 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -137.66 -47.66 0.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 0.74 . . . . 0.0 109.298 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 103.71 20.4 10.85 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.529 1.143 . . . . 0.0 111.042 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.569 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -80.32 -171.04 2.81 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 0.763 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -134.46 122.25 22.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.442 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.491 ' CE1' HD21 ' A' ' 112' ' ' LEU . 22.3 t60 -56.75 93.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.593 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 111' ' ' ASP . 0.5 OUTLIER -125.26 72.68 66.03 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.03 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.53 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.2 Cg_endo -74.97 169.33 22.86 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.53 1.805 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.53 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.5 Cg_endo -74.91 -23.2 12.89 Favored 'Cis proline' 0 C--N 1.361 1.21 0 C-N-CA 121.009 -2.496 . . . . 0.0 111.01 -0.09 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.443 ' O ' ' CG2' ' A' ' 95' ' ' VAL . 42.7 p -53.87 -90.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.427 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 107' ' ' SER . 5.6 m-20 -63.72 142.1 58.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.491 HD21 ' CE1' ' A' ' 106' ' ' HIS . 17.0 mt -144.1 164.63 30.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.412 HG23 ' N ' ' A' ' 106' ' ' HIS . 57.3 t -133.16 126.47 53.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.403 ' CE2' ' HB2' ' A' ' 117' ' ' GLN . 6.7 t90 -89.39 95.39 10.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 108.038 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 116' ' ' ALA . 20.1 mtpt -77.6 -47.22 19.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 115' ' ' LYS . . . -39.83 -43.93 1.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.356 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.403 ' HB2' ' CE2' ' A' ' 114' ' ' TRP . 1.1 mm100 -104.08 176.03 5.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.42 ' O ' ' N ' ' A' ' 101' ' ' GLY . 3.8 p30 -114.2 -20.67 10.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 12.1 t -169.44 136.02 1.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.378 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.651 ' CE2' ' CG2' ' A' ' 52' ' ' VAL . 59.7 m95 -48.55 -40.11 25.9 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 126.76 142.76 5.7 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 2.3 p -114.59 -172.69 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 129.88 139.39 4.57 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 9.6 p -42.77 -34.47 0.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 0.0 109.995 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -121.47 134.92 55.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 110.026 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.446 ' CD1' ' O ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -135.06 150.47 50.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 1.6 ttp85 -139.77 105.92 5.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 24.1 m -107.38 159.52 16.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 110.423 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 70' ' ' ARG . . . -159.51 160.42 34.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.235 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 12.7 tp -123.97 133.03 53.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 13.6 mm -116.42 147.79 19.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.471 ' OD1' ' CG2' ' A' ' 134' ' ' THR . 7.8 p30 -100.53 -171.41 2.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 132' ' ' ASN . 24.0 p -36.05 -58.63 0.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.471 ' CG2' ' OD1' ' A' ' 132' ' ' ASN . 2.8 t -81.48 160.25 24.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.385 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -67.93 60.94 0.36 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 134' ' ' THR . 18.1 tt0 -137.56 139.51 40.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 0.0 110.3 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -84.84 147.39 26.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.25 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 37' ' ' SER . 2.7 m -115.12 -36.25 2.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -144.07 157.51 44.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 14.1 ptm -138.38 146.5 42.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.459 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 25.9 ttm-85 -137.71 103.76 5.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.148 . . . . 0.0 110.234 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -106.03 131.95 52.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.115 . . . . 0.0 109.322 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.455 ' CD2' ' HG2' ' A' ' 32' ' ' GLN . 1.1 mm? -121.56 119.55 32.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.346 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 31' ' ' SER . 3.3 t -115.95 137.82 48.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . 0.463 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 76.2 ttt180 -100.12 141.36 33.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 145' ' ' ARG . 5.1 m -43.89 -93.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.034 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 169.11 164.4 24.75 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.466 1.104 . . . . 0.0 111.034 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 134.77 18.14 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.531 1.806 . . . . 0.0 110.989 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 89.5 p -135.19 106.94 6.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.991 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 11.1 m -157.86 126.58 5.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.961 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.434 1.084 . . . . 0.0 110.994 180.0 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.9 p -171.07 140.54 1.54 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 0.777 . . . . 0.0 109.982 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.0 p -172.39 159.16 4.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.954 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.34 103.44 0.26 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.501 1.126 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.4 t -168.64 152.5 5.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 0.784 . . . . 0.0 109.97 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.2 p -136.37 165.48 25.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.054 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.71 146.34 4.86 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.427 1.079 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -173.37 155.99 2.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 0.76 . . . . 0.0 110.345 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.6 p -176.85 128.27 0.17 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.011 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -158.02 129.47 6.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -174.37 149.54 10.72 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -174.94 156.17 22.1 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 159.98 91.88 0.08 OUTLIER Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.84 134.9 5.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 0.0 110.02 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 62.9 t -73.74 143.57 13.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 75.8 p -121.52 67.91 0.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.387 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.66 -56.05 2.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 68.1 -78.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.344 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.03 95.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.27 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.99 141.76 51.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.6 mt -103.5 70.34 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 41.73 82.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.4 p -135.9 84.41 2.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.028 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.8 t -117.16 148.45 41.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.002 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -178.36 145.04 0.32 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 110.318 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.8 t 40.15 86.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.965 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -119.44 106.91 12.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.7 t -164.83 111.92 1.01 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.996 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.424 ' O ' ' O ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER 66.33 140.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.015 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.588 ' CD2' ' OE1' ' A' ' 47' ' ' GLU . 4.4 m-30 57.5 150.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 111.02 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.56 ' HB2' ' CG1' ' A' ' 144' ' ' VAL . 17.1 m -84.25 62.86 7.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.018 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -50.18 142.79 9.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.402 ' CD2' ' O ' ' A' ' 31' ' ' SER . 73.1 m-70 -155.63 81.78 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.625 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -100.36 161.71 13.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.87 106.33 1.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.0 149.25 26.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.395 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.2 OUTLIER -156.17 82.14 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.044 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 157.88 -137.47 5.32 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.548 1.155 . . . . 0.0 111.021 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.454 ' CG ' ' HB3' ' A' ' 58' ' ' SER . 5.1 mtm-85 -103.6 -38.27 7.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 0.753 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.4 ' CG2' ' HG2' ' A' ' 62' ' ' GLN . 65.6 t -92.52 160.97 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -148.59 145.57 27.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.416 ' CG1' ' HD2' ' A' ' 141' ' ' ARG . 24.7 t -75.15 85.52 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.07 -62.03 0.69 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.343 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -163.63 132.33 3.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 110.319 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.457 HG23 ' CG1' ' A' ' 52' ' ' VAL . 6.8 t -119.71 102.78 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -44.12 109.18 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.588 ' OE1' ' CD2' ' A' ' 30' ' ' PHE . 7.0 pt-20 -56.14 -32.73 64.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -56.86 -35.05 68.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.92 64.22 0.99 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -124.01 -52.32 1.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 0.752 . . . . 0.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.567 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 33.1 p90 -146.17 156.11 43.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.656 ' CG2' ' CE2' ' A' ' 120' ' ' TRP . 25.2 t -119.1 114.99 46.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.89 125.76 40.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.337 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.456 ' CD1' HD13 ' A' ' 69' ' ' ILE . 5.7 mt -124.81 126.91 46.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.473 ' CG ' HG21 ' A' ' 94' ' ' VAL . 28.0 ttp180 -119.05 147.06 44.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.266 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -93.25 136.74 33.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -103.26 -24.84 13.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.454 ' HB3' ' CG ' ' A' ' 39' ' ' ARG . 56.0 p -61.92 168.7 2.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.022 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.494 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 1.9 p30 -100.62 -26.5 13.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -93.62 131.99 38.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -44.37 117.99 1.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.51 ' NE2' ' H ' ' A' ' 63' ' ' SER . 63.2 tp60 -84.39 158.53 21.07 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.445 1.091 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.51 ' H ' ' NE2' ' A' ' 62' ' ' GLN . 35.6 t -124.64 121.95 36.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.024 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.544 ' HA ' ' CG ' ' A' ' 67' ' ' TRP . 13.6 mtp -106.05 46.24 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 111.011 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -78.98 113.07 3.59 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER 81.46 5.88 1.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 0.757 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.544 ' CG ' ' HA ' ' A' ' 64' ' ' MET . 11.7 m0 -66.64 167.15 11.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 108.025 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -147.46 168.51 21.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.317 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.595 ' CD1' ' CE2' ' A' ' 83' ' ' PHE . 2.1 mt -135.77 111.69 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.5 mtt-85 -83.12 140.91 32.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.345 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.446 ' HB3' ' CG ' ' A' ' 79' ' ' MET . 0.7 OUTLIER -143.48 116.2 8.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.3 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.421 ' CG ' ' HG ' ' A' ' 78' ' ' LEU . 10.2 tm0? -129.72 134.22 47.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.413 ' ND2' ' HA3' ' A' ' 121' ' ' GLY . 4.5 p30 -142.55 135.07 27.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 73' ' ' ASN . . . 37.12 -147.49 0.07 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -94.38 69.73 3.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.757 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.473 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 0.3 OUTLIER -125.15 176.5 2.37 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.473 ' CD ' ' CB ' ' A' ' 76' ' ' ASP . 18.3 Cg_endo -74.97 114.49 4.04 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.523 1.802 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.421 ' HG ' ' CG ' ' A' ' 72' ' ' GLN . 1.4 tt -57.42 126.91 29.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.446 ' CG ' ' HB3' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -114.1 155.7 25.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.985 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 52.6 m -144.55 101.28 3.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.397 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.405 ' HE1' ' CE1' ' A' ' 83' ' ' PHE . 39.0 t80 -74.39 106.74 6.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 111.034 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -80.92 147.74 30.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 110.278 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.595 ' CE2' ' CD1' ' A' ' 69' ' ' ILE . 11.0 m-85 -102.3 170.02 6.88 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 111.047 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 153.33 41.58 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.485 1.782 . . . . 0.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 6.1 3.59 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.4 mmmt -140.16 66.37 1.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -130.28 122.59 28.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -118.87 120.31 36.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.402 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 62' ' ' GLN . 58.9 tp -99.75 90.54 4.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -40.49 159.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 59' ' ' ASN . . . -75.97 133.38 40.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.346 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 76.66 3.83 79.87 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.3 -179.04 6.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.473 HG21 ' CG ' ' A' ' 55' ' ' ARG . 17.2 t -151.71 144.51 16.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 1.9 p -130.16 140.35 49.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 109.331 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 112' ' ' LEU . 1.3 m -111.96 132.99 54.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 110.388 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.422 HD13 ' N ' ' A' ' 97' ' ' ILE . 4.6 mp -117.27 81.61 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.601 ' CB ' ' CB ' ' A' ' 104' ' ' ALA . 31.1 m95 -71.44 163.18 28.19 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 100' ' ' SER . . . -104.36 146.07 29.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.36 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 99' ' ' ALA . 2.5 t -37.98 -37.09 0.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.0 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -110.42 71.65 0.21 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -151.65 23.06 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 0.792 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 42.54 41.1 4.04 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.511 1.132 . . . . 0.0 111.019 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.601 ' CB ' ' CB ' ' A' ' 98' ' ' TRP . . . -99.33 -171.23 2.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 0.746 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -146.66 120.58 9.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.368 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.486 ' NE2' ' HG3' ' A' ' 108' ' ' PRO . 21.7 t60 -56.81 94.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.617 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 111' ' ' ASP . 0.5 OUTLIER -128.61 68.98 79.11 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.979 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.537 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.3 Cg_endo -75.04 169.62 22.21 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.471 1.774 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.537 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -75.0 -13.29 23.71 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.999 -2.5 . . . . 0.0 111.058 -0.002 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 37.7 p -58.27 -92.35 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 110.453 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' A' ' 112' ' ' LEU . 3.0 t0 -69.99 143.61 52.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.348 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.469 ' CD2' ' HB3' ' A' ' 108' ' ' PRO . 18.7 mt -139.04 164.84 28.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.406 HG23 ' N ' ' A' ' 106' ' ' HIS . 72.1 t -132.09 126.54 56.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.511 ' CE2' ' HB2' ' A' ' 117' ' ' GLN . 6.7 t90 -87.77 100.11 12.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.16 . . . . 0.0 108.011 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -79.38 -37.64 36.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.36 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -52.06 -41.9 62.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.511 ' HB2' ' CE2' ' A' ' 114' ' ' TRP . 0.8 OUTLIER -112.89 170.81 7.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.323 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -113.4 -21.41 10.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.264 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 11.3 t -157.19 144.79 18.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.372 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.656 ' CE2' ' CG2' ' A' ' 52' ' ' VAL . 52.1 m95 -64.36 -46.71 82.23 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . 0.413 ' HA3' ' ND2' ' A' ' 73' ' ' ASN . . . 135.5 135.1 3.42 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.488 1.118 . . . . 0.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . 0.433 ' O ' ' CD2' ' A' ' 126' ' ' LEU . 22.0 p -110.34 -156.18 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 110.17 159.68 17.53 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.48 1.112 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 145' ' ' ARG . 91.0 p -58.99 -55.09 39.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.773 . . . . 0.0 109.946 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.498 ' HA ' ' CG2' ' A' ' 144' ' ' VAL . 16.5 p -94.1 127.46 39.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.977 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.433 ' CD2' ' O ' ' A' ' 122' ' ' CYS . 0.6 OUTLIER -136.38 158.27 44.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -160.29 123.34 3.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 15.9 m -121.04 162.32 20.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.354 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -158.58 156.31 29.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 13.2 tp -119.48 131.35 55.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 18.1 mm -115.3 147.04 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.153 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.467 ' OD1' ' CG2' ' A' ' 134' ' ' THR . 6.4 p30 -98.38 -170.97 2.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 132' ' ' ASN . 23.5 p -36.1 -58.74 0.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.029 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.467 ' CG2' ' OD1' ' A' ' 132' ' ' ASN . 1.9 t -81.67 161.07 23.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.39 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -68.43 63.61 0.42 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.127 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . 0.408 ' O ' ' ND2' ' A' ' 132' ' ' ASN . 15.8 tt0 -139.49 137.19 35.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.756 . . . . 0.0 110.288 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.413 ' HG2' ' N ' ' A' ' 138' ' ' VAL . 8.1 tt0 -84.38 141.07 31.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.327 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 37' ' ' SER . 2.4 m -107.84 -38.9 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -142.27 161.45 37.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -141.47 154.25 45.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.416 ' HD2' ' CG1' ' A' ' 42' ' ' VAL . 3.9 ttt85 -145.04 97.45 3.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -92.89 151.68 19.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 126' ' ' LEU . 0.3 OUTLIER -160.26 116.63 2.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.56 ' CG1' ' HB2' ' A' ' 31' ' ' SER . 9.9 p -128.48 151.45 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . 0.568 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 32.9 ttt180 -100.14 152.8 19.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.276 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 28.0 t -122.88 110.07 14.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.975 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -147.54 163.7 28.76 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.464 1.102 . . . . 0.0 111.022 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 163.26 35.72 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.427 1.751 . . . . 0.0 111.041 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.07 128.05 56.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 110.052 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 10.8 p -102.42 -59.65 1.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 110.043 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.523 1.139 . . . . 0.0 111.001 179.965 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 t -113.85 161.92 16.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 0.764 . . . . 0.0 109.992 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.7 t -66.32 -60.65 2.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.98 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.46 146.79 8.95 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.144 . . . . 0.0 111.013 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.56 109.49 2.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 0.792 . . . . 0.0 110.039 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.82 151.5 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.023 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.85 74.77 1.21 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -114.41 107.22 15.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 0.732 . . . . 0.0 110.339 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.8 t -115.59 115.66 26.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.057 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -144.5 111.66 5.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.277 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -153.24 169.69 32.1 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 171.71 132.59 1.51 Allowed Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 139.23 70.51 0.04 OUTLIER Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.6 t -172.92 117.06 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 0.738 . . . . 0.0 110.025 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.8 p -110.33 138.81 36.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.0 m -105.12 108.9 20.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.384 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.64 116.54 8.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.03 -63.03 0.45 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 39.18 89.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.77 151.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 mt -121.01 -65.2 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -134.2 144.46 48.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.59 -61.08 1.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.952 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.1 t 43.09 86.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.987 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -150.5 82.31 1.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.0 140.43 39.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.017 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -114.47 168.03 10.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.64 -62.29 1.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.041 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.408 ' O ' ' O ' ' A' ' 30' ' ' PHE . 65.8 m -50.91 102.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.987 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 145' ' ' ARG . 7.4 m-30 58.91 149.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.963 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 144' ' ' VAL . 5.4 t -67.83 67.63 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.031 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.482 ' O ' ' CG ' ' A' ' 33' ' ' HIS . 5.2 mt-30 -49.49 147.58 3.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.482 ' CG ' ' O ' ' A' ' 32' ' ' GLN . 60.9 m-70 -159.58 78.89 0.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.564 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.47 ' CB ' ' HA ' ' A' ' 141' ' ' ARG . . . -101.91 159.58 15.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -158.86 109.22 2.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -88.59 147.68 24.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.387 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.2 OUTLIER -156.12 82.14 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.989 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 160.75 -145.14 10.66 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.419 ' CD ' ' CD ' ' A' ' 60' ' ' GLU . 10.9 mtm-85 -97.42 -40.79 8.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 0.763 . . . . 0.0 110.23 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.456 ' CG2' ' HG3' ' A' ' 62' ' ' GLN . 23.2 t -95.62 144.35 10.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 109.27 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -129.67 154.7 46.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.438 ' CG1' ' HD2' ' A' ' 141' ' ' ARG . 60.8 t -80.64 86.7 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 109.278 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.87 -67.89 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -158.6 132.52 7.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.261 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.473 HG21 ' CG1' ' A' ' 52' ' ' VAL . 8.2 t -120.27 107.36 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.93 107.48 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.512 ' OE1' ' CD2' ' A' ' 30' ' ' PHE . 7.1 pt-20 -56.49 -36.31 68.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -57.67 -17.95 17.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.94 64.66 1.91 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.488 1.117 . . . . 0.0 111.026 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -121.98 -47.49 2.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 0.762 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.619 ' CD2' ' CZ3' ' A' ' 98' ' ' TRP . 28.3 p90 -154.07 156.73 37.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.502 HG21 ' CD2' ' A' ' 120' ' ' TRP . 23.4 t -117.84 118.58 58.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.257 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.16 126.06 50.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.273 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.0 mt -125.5 139.55 53.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.6 ttp85 -126.48 153.93 44.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 110.273 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -99.64 99.81 10.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.348 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.441 ' N ' ' HD2' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -68.34 -35.74 78.21 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.516 1.135 . . . . 0.0 109.36 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.404 ' CB ' ' HB3' ' A' ' 39' ' ' ARG . 15.7 t -57.55 172.27 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 110.007 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.477 ' C ' ' CB ' ' A' ' 91' ' ' ALA . 1.8 p30 -108.2 -0.8 20.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.419 ' CD ' ' CD ' ' A' ' 39' ' ' ARG . 1.5 pt-20 -108.72 154.06 22.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.274 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 -64.93 136.68 57.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.61 ' OE1' ' CZ2' ' A' ' 67' ' ' TRP . 0.0 OUTLIER -112.34 102.87 10.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.524 ' N ' ' NE2' ' A' ' 62' ' ' GLN . 55.5 m -72.79 120.4 18.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.996 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.511 ' HE3' ' CE2' ' A' ' 83' ' ' PHE . 0.5 OUTLIER -113.64 47.24 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 111.029 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.503 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -88.28 56.71 4.25 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.456 1.098 . . . . 0.0 111.035 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER 155.67 -24.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 0.769 . . . . 0.0 109.292 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.61 ' CZ2' ' OE1' ' A' ' 62' ' ' GLN . 11.4 m0 -42.25 161.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 107.997 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.439 ' CG ' ' C ' ' A' ' 67' ' ' TRP . 5.0 mt-30 -153.98 133.99 13.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.325 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.593 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 13.0 mt -91.83 124.26 44.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.5 mtt-85 -97.44 117.88 32.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.44 ' CZ ' ' O ' ' A' ' 120' ' ' TRP . 9.2 tpt180 -115.03 111.53 21.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.267 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.401 ' N ' ' HD2' ' A' ' 71' ' ' ARG . 5.5 tm0? -117.68 126.96 53.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.423 ' OD1' ' NE ' ' A' ' 71' ' ' ARG . 0.4 OUTLIER -127.25 148.02 50.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -62.49 154.09 42.53 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.2 t70 42.66 57.48 3.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 0.764 . . . . 0.0 109.242 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -177.57 165.33 1.32 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 175.51 11.14 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.452 1.764 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 22.8 tp -106.04 135.18 47.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 51.2 mtm -113.81 152.17 31.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 18.3 m -140.23 88.52 2.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.393 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.489 ' CD2' ' O ' ' A' ' 81' ' ' TYR . 41.0 t80 -71.79 95.74 1.55 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -75.02 127.69 33.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.593 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 10.6 m-85 -74.29 169.05 21.07 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.414 ' O ' ' HA2' ' A' ' 65' ' ' GLY . 18.3 Cg_endo -75.03 147.89 34.43 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.496 1.788 . . . . 0.0 111.0 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 5.15 4.15 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.457 1.767 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.407 ' N ' ' HD3' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -128.8 50.38 2.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -128.23 141.76 51.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 110.948 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 m -144.1 105.72 4.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.385 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 34.8 tp -84.08 91.94 7.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -46.5 166.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.477 ' CB ' ' C ' ' A' ' 59' ' ' ASN . . . -76.15 138.18 40.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 75.35 -0.46 59.8 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 91' ' ' ALA . 0.4 OUTLIER -87.27 169.31 12.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.754 . . . . 0.0 110.289 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.404 HG23 ' N ' ' A' ' 95' ' ' VAL . 10.9 p -139.51 154.25 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.092 . . . . 0.0 109.322 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.404 ' N ' HG23 ' A' ' 94' ' ' VAL . 5.9 p -141.16 136.62 33.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.3 m -113.93 132.86 55.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.405 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 4.8 mp -118.8 83.95 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.619 ' CZ3' ' CD2' ' A' ' 51' ' ' PHE . 23.7 m95 -69.33 167.42 16.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 108.056 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 101' ' ' GLY . . . -111.96 136.6 51.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.155 . . . . 0.0 109.301 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 99' ' ' ALA . 47.1 t -38.67 -30.23 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 0.0 110.031 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 99' ' ' ALA . . . -66.94 -51.63 38.54 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.467 1.104 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 99' ' ' ALA . . . -47.06 -48.99 22.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.749 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 89.27 24.47 31.4 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.447 ' HB3' ' CB ' ' A' ' 98' ' ' TRP . . . -59.55 -163.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 0.784 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.69 115.81 22.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.417 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -58.64 111.24 1.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.631 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.48 ' CB ' ' HB2' ' A' ' 111' ' ' ASP . 0.6 OUTLIER -143.02 68.23 17.81 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.002 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.525 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.2 Cg_endo -75.05 169.74 21.93 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.545 1.813 . . . . 0.0 110.965 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.525 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -74.99 -10.94 24.24 Favored 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 121.045 -2.481 . . . . 0.0 111.005 -0.012 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 107' ' ' SER . 35.0 p -59.57 -79.26 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.432 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.48 ' HB2' ' CB ' ' A' ' 107' ' ' SER . 4.4 m-20 -76.91 143.96 39.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.496 ' CD2' ' HB3' ' A' ' 108' ' ' PRO . 8.8 mt -143.15 144.93 32.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 42.6 t -118.1 127.18 75.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.529 ' CD2' ' HB2' ' A' ' 117' ' ' GLN . 5.4 t90 -84.78 102.14 12.79 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.86 -44.22 17.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -49.58 -35.49 20.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.529 ' HB2' ' CD2' ' A' ' 114' ' ' TRP . 0.4 OUTLIER -115.4 174.31 6.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 110.297 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -136.82 15.22 3.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 1.7 t -176.5 148.46 0.73 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.378 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.502 ' CD2' HG21 ' A' ' 52' ' ' VAL . 43.1 m95 -92.5 15.45 14.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 108.038 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 73.38 112.19 0.07 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.507 1.129 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 11.4 p -97.4 -169.91 1.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 122.09 154.18 9.08 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.52 1.138 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 67.6 p -54.56 -42.52 71.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 0.752 . . . . 0.0 109.993 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 44.7 m -96.39 122.15 38.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.033 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.52 150.23 47.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -153.72 104.91 2.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 110.334 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 22.0 m -101.72 152.51 20.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.364 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -152.72 156.57 39.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 13.9 tp -120.2 132.4 55.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 24.6 mm -116.22 147.08 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.537 ' HA ' ' CG ' ' A' ' 67' ' ' TRP . 10.6 p30 -99.99 -166.65 1.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.517 ' OG ' ' N ' ' A' ' 134' ' ' THR . 1.3 p -35.34 -66.04 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.99 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.517 ' N ' ' OG ' ' A' ' 133' ' ' SER . 14.6 t -79.1 162.71 25.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.376 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -67.76 62.1 0.32 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 134' ' ' THR . 12.5 tt0 -135.5 136.28 41.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 0.75 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.405 ' HG2' ' N ' ' A' ' 138' ' ' VAL . 4.8 tt0 -83.28 138.62 33.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.261 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 37' ' ' SER . 3.4 m -110.9 -30.62 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -144.73 157.44 44.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 15.1 ptm -142.78 151.77 41.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.47 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 17.4 ttm-85 -144.65 82.31 1.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.328 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.455 ' HD3' ' CG2' ' A' ' 144' ' ' VAL . 0.1 OUTLIER -78.37 154.58 30.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -161.6 118.0 2.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.455 ' CG2' ' HD3' ' A' ' 142' ' ' LYS . 22.1 t -128.86 128.64 67.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . 0.566 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 58.8 ttt180 -82.71 141.2 32.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 3.3 m -94.85 107.1 19.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.985 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -131.73 154.02 20.74 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 136.05 19.83 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 8.9 t -84.71 111.94 20.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.985 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 70.7 m -123.35 90.02 3.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.973 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.547 1.155 . . . . 0.0 111.009 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.4 t -178.84 162.98 1.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 0.757 . . . . 0.0 110.022 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -161.14 172.96 15.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.012 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.03 -162.98 9.69 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.504 1.128 . . . . 0.0 111.018 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -175.77 173.86 2.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.993 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.35 173.56 6.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.977 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.0 -179.49 40.09 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.478 1.111 . . . . 0.0 111.038 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -170.5 171.95 6.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 0.748 . . . . 0.0 110.282 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.8 t -156.07 113.62 3.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.026 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -90.2 -173.34 3.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -140.08 -166.74 10.77 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 110.952 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -165.13 -177.83 37.9 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -158.0 -154.88 7.31 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.23 165.41 19.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 0.748 . . . . 0.0 109.964 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.1 p -172.07 131.89 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.0 t -122.95 146.84 47.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.362 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -156.07 168.81 26.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.6 143.72 5.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -128.37 170.47 13.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 110.297 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.77 86.03 2.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 176.7 115.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 176.29 170.93 0.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.79 111.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.6 p -179.03 98.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.029 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -174.49 173.69 2.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.294 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.3 t -49.55 154.73 0.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.986 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.85 97.48 2.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.285 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 70.36 171.83 0.31 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 110.014 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 30' ' ' PHE . 2.4 m 174.35 91.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.486 ' CE1' ' CG ' ' A' ' 145' ' ' ARG . 8.4 m-30 56.97 156.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.579 ' HB2' ' CG1' ' A' ' 144' ' ' VAL . 56.2 m -89.86 71.12 7.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.043 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.534 ' O ' ' CG ' ' A' ' 33' ' ' HIS . 35.3 mt-30 -48.66 152.57 0.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.295 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.534 ' CG ' ' O ' ' A' ' 32' ' ' GLN . 67.4 m-70 -164.03 75.37 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.539 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -106.94 164.0 12.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.95 106.88 0.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.59 147.74 29.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 0.0 110.432 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 138' ' ' VAL . 2.3 m -156.28 81.98 0.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.989 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.68 -142.89 8.6 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.446 1.091 . . . . 0.0 111.034 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.448 ' NH1' ' CD ' ' A' ' 60' ' ' GLU . 8.8 mtm180 -95.32 -43.34 8.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 0.78 . . . . 0.0 110.316 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.414 ' CG1' ' N ' ' A' ' 41' ' ' ALA . 87.6 t -91.35 166.6 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.414 ' N ' ' CG1' ' A' ' 40' ' ' VAL . . . -151.48 141.95 22.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.0 t -67.83 86.99 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.99 -67.18 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.402 ' HA ' ' NH2' ' A' ' 141' ' ' ARG . 2.0 tp10 -161.64 134.47 6.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.468 HG23 ' CG1' ' A' ' 52' ' ' VAL . 6.5 t -119.83 109.61 26.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.525 ' OD2' ' N ' ' A' ' 49' ' ' GLY . 0.1 OUTLIER -42.91 117.55 1.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -68.56 -19.97 64.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -75.92 -12.71 60.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.525 ' N ' ' OD2' ' A' ' 46' ' ' ASP . . . 73.48 94.0 0.11 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.506 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 10.8 mtmt -158.91 -54.79 0.06 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 0.765 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.586 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 19.3 p90 -138.49 159.18 42.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.494 ' CG2' ' CE2' ' A' ' 120' ' ' TRP . 38.1 t -124.72 113.79 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.61 124.95 39.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.342 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.477 ' CD1' HD11 ' A' ' 69' ' ' ILE . 6.9 mt -123.35 132.93 54.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.411 ' HG2' ' CE ' ' A' ' 57' ' ' LYS . 17.4 ttp180 -124.04 148.06 47.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.326 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 32.6 t-20 -95.09 130.98 41.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.411 ' CE ' ' HG2' ' A' ' 55' ' ' ARG . 7.1 mmpt? -97.14 -30.27 13.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 82.6 p -61.19 154.89 22.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.441 ' C ' ' CB ' ' A' ' 91' ' ' ALA . 2.7 t30 -88.23 -15.29 36.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.448 ' CD ' ' NH1' ' A' ' 39' ' ' ARG . 5.6 pt-20 -96.27 149.24 21.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -63.79 124.24 20.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.414 ' HG2' ' CG2' ' A' ' 40' ' ' VAL . 42.8 tp60 -100.81 118.19 36.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.1 t -80.2 140.7 36.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.986 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.529 ' HA ' ' CD1' ' A' ' 67' ' ' TRP . 56.1 mtp -126.87 29.5 5.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -74.95 55.16 2.64 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.491 1.119 . . . . 0.0 110.953 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER 155.67 -24.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 0.783 . . . . 0.0 109.262 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.529 ' CD1' ' HA ' ' A' ' 64' ' ' MET . 11.1 m0 -44.12 163.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 108.021 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -144.22 168.51 19.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.665 ' CD1' ' CE2' ' A' ' 83' ' ' PHE . 6.8 mt -131.56 122.03 49.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.493 ' CZ ' ' OG1' ' A' ' 80' ' ' THR . 6.4 mtp85 -95.73 143.93 26.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.264 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -148.6 100.39 3.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.474 ' HB2' ' CD1' ' A' ' 78' ' ' LEU . 21.7 tm0? -117.81 126.61 52.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 121' ' ' GLY . 86.1 m-20 -120.56 146.63 46.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' A' ' 76' ' ' ASP . . . -43.71 142.22 2.45 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 66.21 -72.17 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 0.795 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 74' ' ' GLY . 0.2 OUTLIER -41.53 160.99 0.14 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -176.84 3.08 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.562 1.822 . . . . 0.0 110.978 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.474 ' CD1' ' HB2' ' A' ' 72' ' ' GLN . 8.8 tp -112.14 131.76 55.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -118.87 159.37 23.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.493 ' OG1' ' CZ ' ' A' ' 70' ' ' ARG . 28.9 m -145.77 105.87 4.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.39 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.503 ' HB2' ' CH2' ' A' ' 114' ' ' TRP . 61.9 t80 -87.59 111.04 20.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.113 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.6 ttp85 -88.01 120.2 29.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.331 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.665 ' CE2' ' CD1' ' A' ' 69' ' ' ILE . 16.4 m-85 -63.89 166.5 9.81 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.423 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.2 Cg_endo -75.04 147.72 34.13 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.496 1.787 . . . . 0.0 110.942 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.429 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.2 Cg_endo -75.03 15.19 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.465 1.771 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.423 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.3 OUTLIER -134.07 41.74 2.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -129.18 135.29 48.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.8 m -135.98 113.26 10.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.425 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 30.1 tp -87.26 97.27 10.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -51.15 167.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.443 ' O ' ' NE2' ' A' ' 93' ' ' GLN . . . -78.22 136.07 37.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 75.87 2.65 71.59 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' A' ' 91' ' ' ALA . 0.9 OUTLIER -88.8 170.94 10.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 0.736 . . . . 0.0 110.285 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.415 HG22 ' N ' ' A' ' 95' ' ' VAL . 13.3 p -139.5 158.45 27.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.418 HG21 ' N ' ' A' ' 96' ' ' THR . 7.3 p -146.86 145.79 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.251 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 112' ' ' LEU . 21.8 m -122.37 126.77 48.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.406 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 4.2 mp -112.57 89.76 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 0.0 109.268 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.651 ' CG ' ' CB ' ' A' ' 104' ' ' ALA . 42.3 m95 -75.01 162.5 28.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.165 . . . . 0.0 107.981 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 50' ' ' LYS . . . -103.12 145.63 29.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.4 ' HB3' ' HA ' ' A' ' 118' ' ' ASN . 2.0 t -39.95 -53.37 2.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.029 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -50.44 -52.88 26.75 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.456 1.098 . . . . 0.0 111.01 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.41 150.24 1.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 0.781 . . . . 0.0 109.259 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -88.71 40.79 3.06 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.536 1.148 . . . . 0.0 111.039 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.651 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -79.6 -170.48 2.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.753 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -144.68 121.99 11.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.476 ' NE2' ' HG3' ' A' ' 108' ' ' PRO . 19.5 t60 -55.62 93.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.606 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.94 69.13 76.62 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.03 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.53 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.4 Cg_endo -74.97 169.32 22.88 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.509 1.794 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.53 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.1 Cg_endo -75.04 -14.66 23.04 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.999 0.02 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 42.0 p -57.05 -91.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.361 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -70.38 146.51 50.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.46 ' CD2' ' HB3' ' A' ' 108' ' ' PRO . 18.1 mt -143.15 165.67 26.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 53.3 t -133.91 127.58 52.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.564 ' CH2' ' HG3' ' A' ' 117' ' ' GLN . 7.7 t90 -91.18 100.45 13.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 108.01 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.1 -46.43 18.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -41.14 -44.81 2.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.564 ' HG3' ' CH2' ' A' ' 114' ' ' TRP . 9.7 mm100 -102.94 173.26 6.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.4 ' HA ' ' HB3' ' A' ' 100' ' ' SER . 3.9 p30 -113.98 -25.2 8.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 14.8 t -160.23 151.23 19.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 110.449 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.494 ' CE2' ' CG2' ' A' ' 52' ' ' VAL . 49.2 m95 -68.65 -44.22 74.6 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . 0.426 ' O ' ' ND2' ' A' ' 73' ' ' ASN . . . 131.88 102.67 0.88 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.531 1.145 . . . . 0.0 111.026 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 17.1 p -84.36 -168.68 2.27 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 118.46 166.57 13.7 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 29.1 p -62.52 -64.4 0.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.944 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.524 ' HA ' ' CG2' ' A' ' 144' ' ' VAL . 33.2 t -84.14 127.84 34.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.035 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -140.42 145.4 36.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 2.5 ttt-85 -142.27 113.32 7.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 23.6 m -111.8 163.65 13.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.398 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -160.69 163.81 32.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.24 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 13.5 tp -128.17 131.93 48.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 24.3 mm -113.26 148.32 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.143 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.435 ' ND2' ' O ' ' A' ' 136' ' ' GLU . 9.0 p30 -99.19 -172.47 2.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.352 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 132' ' ' ASN . 0.5 OUTLIER -37.53 -52.07 1.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.029 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 136' ' ' GLU . 71.1 p -86.2 158.22 19.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.399 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -67.29 63.06 0.24 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.543 1.152 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 134' ' ' THR . 18.6 tt0 -143.14 135.67 27.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 0.755 . . . . 0.0 110.327 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.424 ' HG2' ' N ' ' A' ' 138' ' ' VAL . 2.2 tt0 -79.56 142.6 35.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 37' ' ' SER . 2.2 m -110.78 -34.2 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -143.97 154.59 43.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 24.1 ptm -134.05 148.21 51.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.402 ' NH2' ' HA ' ' A' ' 44' ' ' GLU . 1.8 tpt180 -141.16 98.54 3.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -102.43 136.96 41.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.14 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.47 ' CD2' ' HG2' ' A' ' 32' ' ' GLN . 0.2 OUTLIER -143.71 118.41 9.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.579 ' CG1' ' HB2' ' A' ' 31' ' ' SER . 8.9 p -124.68 149.73 29.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . 0.486 ' CG ' ' CE1' ' A' ' 30' ' ' PHE . 35.9 ttt180 -96.71 155.24 16.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 13.7 m -117.83 83.87 2.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.009 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -115.28 178.82 17.97 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.531 1.145 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 147.63 34.03 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.507 1.793 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 35.7 p -167.49 85.66 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.987 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 90.9 p -116.09 163.72 15.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.0 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.536 1.147 . . . . 0.0 110.993 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.5 p -165.66 169.76 14.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 0.784 . . . . 0.0 109.972 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.29 108.52 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.958 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.81 151.6 23.81 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.1 p -172.11 176.7 3.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 110.018 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -146.74 173.14 12.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.98 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.92 119.88 2.25 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.12 -172.95 2.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.8 p -132.79 149.59 52.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.961 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -142.87 176.34 9.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -143.95 -136.47 3.1 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.477 1.11 . . . . 0.0 111.001 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 157.56 148.82 5.25 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -121.29 144.0 16.38 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.8 m -137.95 172.21 13.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 0.763 . . . . 0.0 110.014 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 68.9 t 60.58 107.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -172.23 114.01 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.399 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.35 105.54 8.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.74 162.82 36.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.85 -63.64 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.08 140.53 7.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.3 mm? 49.68 92.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -160.53 121.02 2.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.81 84.12 1.88 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 110.017 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 61.1 p -175.79 134.21 0.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.089 . . . . 0.0 109.99 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -157.93 82.91 0.87 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.0 m -139.1 131.2 28.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 110.018 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.87 145.88 15.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.3 m -165.49 172.14 12.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.977 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.424 ' O ' ' O ' ' A' ' 30' ' ' PHE . 12.2 m -90.89 149.39 21.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.584 ' CZ ' ' HB2' ' A' ' 145' ' ' ARG . 5.5 m-30 57.38 153.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.489 1.118 . . . . 0.0 111.045 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 144' ' ' VAL . 0.2 OUTLIER -81.08 68.83 7.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.969 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.467 ' CG ' ' HG ' ' A' ' 143' ' ' LEU . 0.0 OUTLIER -56.64 144.35 32.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 110.268 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -155.89 75.82 0.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.567 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.468 ' CB ' ' HA ' ' A' ' 141' ' ' ARG . . . -100.89 161.99 13.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -165.0 112.85 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.298 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -88.8 147.7 24.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 110.386 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.9 OUTLIER -156.12 82.23 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.013 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.04 -140.74 7.07 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.446 1.091 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.449 ' CG ' ' HB3' ' A' ' 58' ' ' SER . 9.3 mtm180 -97.03 -41.76 8.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 0.761 . . . . 0.0 110.255 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.1 t -90.19 166.58 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -152.09 136.4 16.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.477 ' CG1' HG21 ' A' ' 45' ' ' VAL . 16.5 t -66.09 86.24 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 42' ' ' VAL . 0.7 OUTLIER -37.8 -66.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.317 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -161.91 134.85 6.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.294 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.538 HG23 ' CG1' ' A' ' 52' ' ' VAL . 5.8 t -120.05 116.41 50.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.42 ' OD2' ' N ' ' A' ' 50' ' ' LYS . 21.5 t70 -54.24 116.13 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.552 ' CD ' ' CE2' ' A' ' 30' ' ' PHE . 2.8 pt-20 -54.97 -36.84 65.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -64.47 -20.35 66.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.325 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.413 ' N ' ' OD2' ' A' ' 46' ' ' ASP . . . 84.24 43.13 7.17 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.555 1.16 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.42 ' N ' ' OD2' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -87.16 -48.63 7.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 0.0 109.322 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.559 ' CD2' ' CZ3' ' A' ' 98' ' ' TRP . 24.0 p90 -156.01 166.73 32.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.538 ' CG1' HG23 ' A' ' 45' ' ' VAL . 45.5 t -121.83 113.07 37.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.28 114.43 26.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.473 ' CD1' HD13 ' A' ' 69' ' ' ILE . 5.6 mt -115.63 127.68 55.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.446 ' CZ ' ' HE2' ' A' ' 57' ' ' LYS . 0.6 OUTLIER -118.6 149.55 41.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.321 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -98.66 137.17 37.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.446 ' HE2' ' CZ ' ' A' ' 55' ' ' ARG . 1.2 mmtp -106.8 -23.75 12.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.449 ' HB3' ' CG ' ' A' ' 39' ' ' ARG . 77.3 p -62.64 151.42 38.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.975 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.439 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 1.5 p30 -81.67 -20.42 39.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -101.26 136.48 41.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.307 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -51.78 130.53 29.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.402 ' NE2' ' CZ2' ' A' ' 67' ' ' TRP . 52.0 tp60 -98.67 114.73 27.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.267 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 74.7 m -74.69 126.23 30.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 110.042 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.444 ' HE1' ' CD2' ' A' ' 83' ' ' PHE . 22.7 mtp -115.06 43.14 2.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 111.033 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -84.33 54.97 4.98 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.447 1.092 . . . . 0.0 110.965 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.496 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER 156.17 -26.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 0.799 . . . . 0.0 109.298 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.411 ' O ' ' HB2' ' A' ' 83' ' ' PHE . 11.5 m0 -44.07 156.35 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 108.0 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.463 ' OE1' ' N ' ' A' ' 68' ' ' GLN . 1.0 OUTLIER -144.49 171.25 14.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.608 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 10.4 mt -129.36 123.48 58.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.254 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.449 ' HG3' ' CG1' ' A' ' 131' ' ' ILE . 26.6 mtt-85 -92.19 135.7 33.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -138.04 116.36 11.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.446 ' C ' ' NE2' ' A' ' 72' ' ' GLN . 0.0 OUTLIER -139.69 86.79 2.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.302 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 74' ' ' GLY . 55.5 m-20 -103.43 147.04 27.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 73' ' ' ASN . . . 37.25 -156.15 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.475 1.109 . . . . 0.0 111.023 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -90.64 64.27 5.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 0.747 . . . . 0.0 109.261 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.425 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 0.4 OUTLIER -118.61 173.75 3.16 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.425 ' CD ' ' CB ' ' A' ' 76' ' ' ASP . 18.5 Cg_endo -74.97 114.88 4.13 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.468 1.773 . . . . 0.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.8 tp -52.29 131.03 32.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.155 . . . . 0.0 109.332 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.2 mpp? -116.63 148.06 41.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 111.027 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 82.7 m -134.43 93.5 3.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.389 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.546 ' CE2' HG22 ' A' ' 97' ' ' ILE . 87.4 t80 -74.79 95.06 2.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.41 ' CD ' ' HG2' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -81.61 117.71 22.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.278 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.608 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 21.7 m-85 -64.1 167.91 7.13 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.418 ' O ' ' HA2' ' A' ' 65' ' ' GLY . 18.4 Cg_endo -74.97 149.59 37.08 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.492 1.785 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.421 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.4 Cg_endo -75.02 4.14 5.01 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.546 1.814 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.06 48.33 2.12 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -128.1 142.1 51.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.8 m -141.05 116.58 10.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 110.414 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.406 ' HB2' ' SD ' ' A' ' 64' ' ' MET . 52.3 tp -91.65 91.78 8.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 89' ' ' LEU . 7.2 mtpt -44.49 167.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.439 ' CB ' ' O ' ' A' ' 59' ' ' ASN . . . -78.25 128.98 34.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 81.46 9.68 85.49 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.475 1.11 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -93.04 177.1 6.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 110.286 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 11.9 p -148.83 157.07 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.4 p -143.77 136.07 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 112' ' ' LEU . 23.7 m -108.46 132.75 53.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.391 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.551 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 0.3 OUTLIER -110.66 79.8 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.559 ' CZ3' ' CD2' ' A' ' 51' ' ' PHE . 59.8 m95 -69.65 157.13 37.83 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 102' ' ' ALA . . . -106.74 139.38 41.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.5 t -40.72 -52.2 2.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.011 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -49.85 -41.94 37.0 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.504 1.128 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 99' ' ' ALA . . . -47.69 -62.18 1.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 104.11 28.23 5.93 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -77.55 -165.13 0.56 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 0.782 . . . . 0.0 109.341 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.01 127.75 48.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.4 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.465 ' CD2' ' HG3' ' A' ' 108' ' ' PRO . 14.7 t60 -68.05 93.41 0.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.582 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.18 75.96 59.96 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.994 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.519 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.2 Cg_endo -74.94 168.95 23.69 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.501 1.79 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.519 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -74.97 -18.41 18.76 Favored 'Cis proline' 0 C--N 1.359 1.13 0 C-N-CA 121.016 -2.493 . . . . 0.0 111.019 -0.039 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 37.4 p -54.35 -87.11 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.434 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.439 ' OD1' ' NE1' ' A' ' 98' ' ' TRP . 32.7 m-20 -67.4 136.34 54.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.419 HD22 ' CE1' ' A' ' 106' ' ' HIS . 15.6 mt -142.95 105.11 4.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 53.7 t -79.19 137.75 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.519 ' CD2' ' HB2' ' A' ' 117' ' ' GLN . 5.8 t90 -96.08 99.73 11.45 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.2 mttp -84.26 -43.67 14.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.351 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -44.53 -45.01 9.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.519 ' HB2' ' CD2' ' A' ' 114' ' ' TRP . 0.9 OUTLIER -100.4 173.52 6.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.265 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.448 HD21 ' N ' ' A' ' 119' ' ' THR . 0.3 OUTLIER -110.73 -20.09 12.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.103 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' THR . . . . . 0.448 ' N ' HD21 ' A' ' 118' ' ' ASN . 10.2 t -167.06 165.0 15.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.4 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.516 ' CE2' HG21 ' A' ' 52' ' ' VAL . 34.4 m95 -87.5 -13.21 43.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 108.027 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 89.46 162.4 38.39 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.521 1.138 . . . . 0.0 111.034 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . 0.462 ' HA ' ' CD2' ' A' ' 126' ' ' LEU . 1.5 p -164.39 -175.9 4.13 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 125' ' ' SER . . . 141.68 50.57 0.04 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.541 1.151 . . . . 0.0 110.99 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.456 ' CB ' ' HB3' ' A' ' 145' ' ' ARG . 1.5 t 65.7 -71.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 109.992 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 123' ' ' GLY . 8.0 t -78.08 124.47 28.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.977 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.462 ' CD2' ' HA ' ' A' ' 122' ' ' CYS . 0.4 OUTLIER -134.94 154.13 51.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -157.43 91.61 1.17 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 110.302 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 19.0 m -96.42 147.97 23.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.391 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -143.06 159.83 41.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 12.2 tp -120.56 130.89 54.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.449 ' CG1' ' HG3' ' A' ' 70' ' ' ARG . 26.0 mm -112.29 147.9 15.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 133' ' ' SER . 8.0 p30 -101.84 -169.48 1.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 132' ' ' ASN . 2.6 p -36.92 -57.19 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.019 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 136' ' ' GLU . 3.7 t -82.1 160.3 23.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 110.402 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -68.74 59.67 0.5 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.554 1.159 . . . . 0.0 111.039 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 134' ' ' THR . 12.7 tt0 -137.84 146.93 44.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 0.786 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.406 ' HG2' ' N ' ' A' ' 138' ' ' VAL . 13.8 tt0 -88.7 140.28 29.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.348 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 37' ' ' SER . 4.4 m -111.79 -28.54 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -147.72 161.4 41.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 26.3 ptm -144.66 156.33 44.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.964 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.468 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 4.1 ttt85 -148.91 88.82 1.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.427 ' HG2' ' N ' ' A' ' 143' ' ' LEU . 10.1 tttt -85.61 150.69 24.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.467 ' HG ' ' CG ' ' A' ' 32' ' ' GLN . 0.2 OUTLIER -160.87 114.0 1.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.245 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' A' ' 31' ' ' SER . 11.9 p -123.18 153.36 28.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . 0.584 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 16.0 ttt85 -102.0 152.97 20.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.41 ' N ' ' CG ' ' A' ' 145' ' ' ARG . 10.8 t -87.23 85.29 7.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.992 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -93.29 -163.08 36.76 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 126.22 9.8 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.496 1.787 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.3 t -93.49 -55.93 3.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.977 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.76 131.65 50.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.022 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.118 . . . . 0.0 110.952 179.984 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 p -168.9 167.52 10.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 0.792 . . . . 0.0 110.035 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.04 -58.26 1.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.033 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.4 153.87 29.96 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.45 1.094 . . . . 0.0 111.036 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -176.7 152.37 0.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 0.757 . . . . 0.0 109.999 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.8 p -166.45 165.97 16.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.994 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.61 -147.45 6.97 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -163.13 129.54 3.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 0.776 . . . . 0.0 110.303 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.51 152.23 0.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.012 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -177.89 138.1 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.268 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -141.8 163.88 26.85 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.515 1.134 . . . . 0.0 110.958 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.76 175.95 28.23 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.13 128.73 3.13 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 38.1 p -172.56 155.25 3.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 0.775 . . . . 0.0 110.042 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.1 p -155.91 127.71 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.334 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.1 m -107.56 128.65 54.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.443 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -122.81 115.35 21.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -161.26 158.86 27.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -128.67 92.37 3.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.09 . . . . 0.0 110.283 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.79 161.56 42.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.81 67.78 6.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.42 ' OE2' ' CZ ' ' A' ' 35' ' ' ARG . 5.7 tt0 -99.05 142.88 29.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.538 1.149 . . . . 0.0 110.303 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.2 t -172.87 106.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.986 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 93.4 p -165.97 150.35 8.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 110.038 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -166.48 93.4 0.49 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 110.325 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.43 156.33 22.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.7 88.0 1.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.39 -51.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.958 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.9 m -140.9 84.11 1.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.036 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.596 ' CE2' ' OE2' ' A' ' 47' ' ' GLU . 6.6 m-30 58.94 151.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.613 ' O ' ' CE1' ' A' ' 33' ' ' HIS . 4.4 t -69.41 60.77 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.999 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -40.41 146.0 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.636 ' CD2' ' N ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -157.11 86.28 0.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.591 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.474 ' CB ' ' HA ' ' A' ' 141' ' ' ARG . . . -108.02 158.87 17.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.42 ' CZ ' ' OE2' ' A' ' 22' ' ' GLU . 1.3 mpp_? -154.07 117.11 4.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -91.34 148.48 22.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.397 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 138' ' ' VAL . 3.2 m -156.16 82.46 0.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.013 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 160.0 -139.24 6.01 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.125 . . . . 0.0 110.99 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.495 ' HD3' ' CG ' ' A' ' 60' ' ' GLU . 5.3 mtm-85 -100.83 -41.26 6.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 0.753 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 68.2 t -95.58 158.18 3.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.143 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -141.07 153.16 45.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.453 HG23 ' CD2' ' A' ' 54' ' ' LEU . 98.3 t -77.28 88.88 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.99 -67.4 0.25 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -159.07 125.45 4.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.466 HG21 ' CG1' ' A' ' 52' ' ' VAL . 13.9 t -115.45 102.66 14.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -46.48 112.85 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.117 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.596 ' OE2' ' CE2' ' A' ' 30' ' ' PHE . 5.7 pt-20 -57.74 -38.68 75.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.39 -26.09 28.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.7 63.08 1.49 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.2 mtmm -117.62 -45.31 2.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 0.74 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.477 ' CB ' ' HA ' ' A' ' 98' ' ' TRP . 50.6 p90 -158.05 157.78 33.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.954 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.466 ' CG1' HG21 ' A' ' 45' ' ' VAL . 20.1 t -120.12 114.37 43.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.6 124.99 43.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.453 ' CD2' HG23 ' A' ' 42' ' ' VAL . 26.0 mt -117.96 129.76 55.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.2 ttm180 -119.26 154.68 33.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 37.2 t-20 -102.49 122.73 44.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.4 mmpt? -95.56 -28.27 14.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.571 1.17 . . . . 0.0 109.338 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.28 169.73 2.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.438 1.086 . . . . 0.0 110.016 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -110.25 17.09 21.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.495 ' CG ' ' HD3' ' A' ' 39' ' ' ARG . 2.2 pt-20 -132.16 127.38 35.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 110.334 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -44.93 114.28 0.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.408 ' NE2' ' CZ2' ' A' ' 67' ' ' TRP . 50.4 tp60 -91.78 116.85 29.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.323 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.61 142.97 44.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.047 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.537 ' HE2' ' CE2' ' A' ' 83' ' ' PHE . 0.4 OUTLIER -134.68 34.84 3.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.501 ' O ' ' ND2' ' A' ' 66' ' ' ASN . . . -78.85 56.38 4.26 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER 156.19 -25.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 109.313 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.416 ' CE3' ' SD ' ' A' ' 64' ' ' MET . 13.4 m0 -44.29 163.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 108.022 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -148.28 170.89 16.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.45 ' CD1' ' CE2' ' A' ' 83' ' ' PHE . 4.0 mt -130.95 122.32 51.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.439 1.087 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.6 mtt-85 -96.13 139.08 32.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.26 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -140.68 116.53 10.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.458 ' CG ' ' HB2' ' A' ' 78' ' ' LEU . 16.3 tm0? -140.4 102.87 4.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 74' ' ' GLY . 23.7 m-20 -120.89 139.53 53.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 73' ' ' ASN . . . 37.52 -154.13 0.02 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.517 1.135 . . . . 0.0 110.987 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -80.48 76.85 7.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 0.793 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -137.52 160.87 63.55 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 111.39 3.31 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.479 1.779 . . . . 0.0 110.983 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.458 ' HB2' ' CG ' ' A' ' 72' ' ' GLN . 4.3 tp -55.22 121.71 9.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -106.1 143.71 33.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 43.8 m -123.42 91.19 3.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 110.393 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.574 ' HB2' ' CH2' ' A' ' 114' ' ' TRP . 62.0 t80 -73.29 95.08 2.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 111.032 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -78.8 117.76 20.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.335 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.537 ' CE2' ' HE2' ' A' ' 64' ' ' MET . 22.0 m-85 -63.06 167.12 6.68 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.431 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.1 Cg_endo -75.04 146.95 33.11 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.499 1.789 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.423 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.3 Cg_endo -74.97 15.63 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.477 1.777 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.431 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.0 OUTLIER -135.21 40.88 2.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -124.93 150.02 47.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -154.91 114.41 3.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.376 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 36.8 tp -83.79 100.07 10.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.33 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.9 mtpt -51.3 171.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.75 126.0 30.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 79.35 10.32 86.09 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.439 1.087 . . . . 0.0 110.961 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.94 173.9 8.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 0.79 . . . . 0.0 110.243 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.7 p -146.52 157.17 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.1 p -145.42 147.65 18.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 28.6 m -122.65 126.08 46.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 110.414 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.415 HD11 ' N ' ' A' ' 97' ' ' ILE . 3.9 mp -113.47 83.84 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.495 ' CG ' ' CB ' ' A' ' 104' ' ' ALA . 46.1 m95 -64.68 161.22 18.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 107.98 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 102' ' ' ALA . . . -103.14 139.32 38.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.43 ' HB3' ' O ' ' A' ' 117' ' ' GLN . 9.4 t -37.52 -47.95 0.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 109.955 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 118' ' ' ASN . . . -57.17 -48.17 81.97 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.528 1.142 . . . . 0.0 111.03 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 99' ' ' ALA . . . -40.63 -54.47 2.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 0.779 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 89.42 23.68 33.36 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.553 1.158 . . . . 0.0 111.017 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.495 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -60.07 -160.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 0.747 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -125.76 113.51 17.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.403 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -56.05 111.51 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.614 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.462 ' CB ' ' HB2' ' A' ' 111' ' ' ASP . 0.5 OUTLIER -144.52 66.29 13.58 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.981 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.524 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.1 Cg_endo -75.07 169.29 22.92 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.477 1.777 . . . . 0.0 111.015 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.524 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.4 Cg_endo -74.95 -13.41 23.52 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 120.995 -2.502 . . . . 0.0 111.058 -0.037 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' A' ' 107' ' ' SER . 42.3 p -56.01 -74.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.385 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.462 ' HB2' ' CB ' ' A' ' 107' ' ' SER . 37.4 m-20 -83.41 150.3 26.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.453 ' CD2' ' HB3' ' A' ' 108' ' ' PRO . 28.2 mt -146.12 147.59 31.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 55.1 t -124.1 120.42 59.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.656 ' CG ' ' HG3' ' A' ' 117' ' ' GLN . 5.8 t90 -83.26 97.31 8.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 107.987 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 116' ' ' ALA . 7.9 mtmt -76.31 -45.23 33.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 115' ' ' LYS . . . -36.81 -69.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.656 ' HG3' ' CG ' ' A' ' 114' ' ' TRP . 0.0 OUTLIER -76.2 175.28 9.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.273 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 101' ' ' GLY . 0.0 OUTLIER -115.35 -24.67 8.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' THR . . . . . 0.48 ' C ' ' NE2' ' A' ' 117' ' ' GLN . 6.5 t -160.59 123.07 3.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.422 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.509 ' N ' ' NE2' ' A' ' 117' ' ' GLN . 32.4 m95 -40.79 -46.94 2.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 108.006 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 138.18 138.61 3.73 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 1.4 p -120.99 -176.35 3.25 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 124.62 153.18 8.51 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.514 1.134 . . . . 0.0 111.023 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 33.1 p -57.86 -31.05 66.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 0.793 . . . . 0.0 110.015 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 36.9 p -111.28 119.19 38.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.02 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.02 156.3 49.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.29 112.83 2.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 11.4 m -108.16 153.03 23.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.383 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -146.6 158.68 43.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 14.2 tp -123.02 131.84 53.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 23.1 mm -113.56 150.24 15.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 133' ' ' SER . 13.1 p30 -102.74 -168.06 1.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.248 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.485 ' OG ' ' N ' ' A' ' 134' ' ' THR . 1.0 OUTLIER -36.24 -64.1 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 110.025 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.485 ' N ' ' OG ' ' A' ' 133' ' ' SER . 14.7 t -81.57 163.69 22.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.386 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -67.4 64.5 0.26 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 134' ' ' THR . 11.8 tt0 -140.07 133.13 29.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 110.279 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -78.83 146.79 33.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.324 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 37' ' ' SER . 1.0 OUTLIER -116.43 -36.01 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -146.02 160.48 41.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 22.0 ptm -148.24 153.58 38.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.474 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 9.3 ttm180 -140.64 94.45 2.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.519 ' HB3' ' CD2' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -83.83 158.48 21.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.361 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -155.67 107.73 2.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.5 HG22 ' CE1' ' A' ' 33' ' ' HIS . 21.2 t -115.98 118.89 60.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . 0.578 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 22.4 ttt180 -78.31 140.64 38.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 110.324 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 1.3 m 42.51 -150.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.964 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -162.49 -146.06 4.55 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 82.33 2.01 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.491 1.785 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.56 -60.42 1.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 24.2 t -80.54 162.56 24.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.96 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.451 1.094 . . . . 0.0 111.029 -179.992 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -156.53 125.46 5.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 0.791 . . . . 0.0 109.979 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.5 p -153.03 168.06 27.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 110.0 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.81 -134.76 1.73 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.465 1.103 . . . . 0.0 110.958 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.29 158.18 1.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 0.734 . . . . 0.0 109.952 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.7 156.94 13.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.012 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.53 -167.92 11.12 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.539 1.149 . . . . 0.0 110.999 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.52 170.14 3.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 0.749 . . . . 0.0 110.296 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 t -165.68 167.66 16.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 110.062 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -134.1 164.59 27.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.241 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -116.53 -130.37 4.52 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.502 1.126 . . . . 0.0 110.957 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -153.36 164.84 31.17 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -103.27 -145.48 15.31 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 176.45 90.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 0.772 . . . . 0.0 110.039 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.3 m -105.38 138.92 28.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.435 ' O ' ' CG2' ' A' ' 16' ' ' THR . 15.2 t -150.59 60.82 0.94 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.368 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.7 tppt? -80.53 123.1 27.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.7 tttm -122.89 150.15 43.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -69.84 87.01 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -170.58 96.05 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.69 150.55 47.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -153.15 148.5 27.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.2 m -100.27 141.92 32.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.014 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.65 91.52 3.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.991 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -118.43 123.68 45.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 110.266 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.5 m 65.42 82.1 0.19 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.023 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.81 138.59 27.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 64.7 p 177.68 121.07 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.478 1.111 . . . . 0.0 109.997 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.434 ' O ' ' O ' ' A' ' 30' ' ' PHE . 19.7 m 63.61 139.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 110.011 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.604 ' CE2' ' OE2' ' A' ' 47' ' ' GLU . 3.8 m-30 57.78 149.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.969 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.492 ' HB2' ' CG1' ' A' ' 144' ' ' VAL . 0.5 OUTLIER -79.45 66.13 4.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.979 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.45 144.26 7.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 110.309 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -157.61 77.02 0.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.588 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -100.06 160.17 14.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.23 106.16 1.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.309 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -87.36 148.88 24.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.384 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.2 OUTLIER -156.11 82.2 1.0 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.999 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 161.81 -145.92 11.45 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.452 1.095 . . . . 0.0 111.036 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.457 ' NE ' ' CD ' ' A' ' 60' ' ' GLU . 7.1 mtm-85 -94.46 -44.61 7.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 0.782 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 75.2 t -93.79 153.19 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.465 ' CB ' ' HD3' ' A' ' 57' ' ' LYS . . . -139.21 149.93 44.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.456 ' CG1' ' CG2' ' A' ' 45' ' ' VAL . 66.4 t -72.16 85.97 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 42' ' ' VAL . 7.4 tm-20 -37.46 -64.73 0.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -159.15 132.76 7.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.314 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.461 HG23 ' CG1' ' A' ' 52' ' ' VAL . 6.9 t -124.56 115.53 44.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -58.01 117.28 4.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.604 ' OE2' ' CE2' ' A' ' 30' ' ' PHE . 6.5 pt-20 -58.89 -39.11 80.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.103 . . . . 0.0 110.307 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.4 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -54.54 -27.63 39.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.31 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.23 59.6 1.74 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.512 1.132 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.466 ' HD2' ' CB ' ' A' ' 102' ' ' ALA . 0.5 OUTLIER -112.02 -43.63 3.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.275 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.575 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 41.9 p90 -158.31 157.8 33.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.461 ' CG1' HG23 ' A' ' 45' ' ' VAL . 42.0 t -119.45 117.01 52.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.15 127.58 49.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.448 ' O ' ' CG1' ' A' ' 94' ' ' VAL . 4.3 mt -124.02 142.74 50.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.475 ' CG ' HG22 ' A' ' 94' ' ' VAL . 26.9 ttp85 -131.74 148.76 52.6 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -100.95 111.22 23.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.465 ' HD3' ' CB ' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -77.5 -33.84 54.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 m -58.2 158.47 7.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.041 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -98.66 15.82 23.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.457 ' CD ' ' NE ' ' A' ' 39' ' ' ARG . 2.4 pt-20 -119.59 154.68 33.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.345 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -72.37 115.05 11.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.408 ' CD ' ' CZ2' ' A' ' 67' ' ' TRP . 42.0 tp60 -92.02 115.76 28.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.9 m -79.22 125.6 29.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.023 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.554 ' HA ' ' CD1' ' A' ' 67' ' ' TRP . 45.1 mtp -116.35 34.15 5.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.466 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -78.18 52.81 3.76 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.512 1.132 . . . . 0.0 111.026 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER 158.98 -26.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 0.741 . . . . 0.0 109.279 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.554 ' CD1' ' HA ' ' A' ' 64' ' ' MET . 11.0 m0 -42.05 157.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.46 ' OE1' ' N ' ' A' ' 68' ' ' GLN . 2.2 mp0 -143.16 167.15 22.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.353 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.576 HD13 ' CZ ' ' A' ' 83' ' ' PHE . 2.5 mt -129.41 121.47 53.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.89 134.29 39.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.239 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.506 ' CZ ' ' O ' ' A' ' 120' ' ' TRP . 9.9 tpt180 -129.99 118.46 21.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.439 ' CB ' ' HG ' ' A' ' 78' ' ' LEU . 13.3 tm0? -125.6 126.36 44.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.448 ' ND2' ' C ' ' A' ' 121' ' ' GLY . 1.9 m120 -127.03 148.08 50.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -51.72 141.29 23.81 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 41.29 55.07 3.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.76 . . . . 0.0 109.345 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -160.67 156.13 21.54 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 150.41 37.98 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.439 ' HG ' ' CB ' ' A' ' 72' ' ' GLN . 1.6 tt -86.04 127.67 34.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.96 147.73 27.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 38.0 m -131.19 99.08 4.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.392 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.573 ' CE2' HG21 ' A' ' 97' ' ' ILE . 88.1 t80 -85.61 93.41 8.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.59 117.22 20.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.576 ' CZ ' HD13 ' A' ' 69' ' ' ILE . 26.9 m-85 -63.15 165.93 9.51 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.964 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.482 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.3 Cg_endo -75.04 145.38 31.24 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.544 1.813 . . . . 0.0 110.979 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.443 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.3 Cg_endo -74.98 21.98 0.42 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.491 1.785 . . . . 0.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.482 ' H ' ' C ' ' A' ' 84' ' ' PRO . 1.3 mmmp? -138.81 37.13 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -128.86 140.46 51.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.82 112.55 7.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 110.404 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 90' ' ' LYS . 40.2 tp -80.4 95.78 6.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 89' ' ' LEU . 8.2 mtpt -47.62 173.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.444 ' O ' ' NE2' ' A' ' 93' ' ' GLN . . . -82.41 136.94 34.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.87 2.94 58.52 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 91' ' ' ALA . 0.5 OUTLIER -86.98 176.31 7.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 0.796 . . . . 0.0 110.288 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.475 HG22 ' CG ' ' A' ' 55' ' ' ARG . 18.0 t -149.29 143.65 18.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.3 p -130.13 140.76 48.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 112' ' ' LEU . 56.1 m -116.13 133.91 55.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.396 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.573 HG21 ' CE2' ' A' ' 81' ' ' TYR . 4.3 mp -119.7 86.01 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.575 ' CE3' ' HB3' ' A' ' 51' ' ' PHE . 47.8 m95 -71.08 167.47 19.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 108.008 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 100' ' ' SER . . . -105.71 145.32 31.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 99' ' ' ALA . 4.1 t -38.06 -45.8 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.998 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -104.71 73.8 0.24 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.483 1.114 . . . . 0.0 110.981 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.466 ' CB ' ' HD2' ' A' ' 50' ' ' LYS . . . -152.22 23.35 0.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 41.49 42.74 3.59 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.512 1.132 . . . . 0.0 110.953 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.555 ' CB ' ' CB ' ' A' ' 98' ' ' TRP . . . -96.17 -176.45 3.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 0.765 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -142.05 112.34 7.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.407 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.495 ' HD1' ' N ' ' A' ' 113' ' ' VAL . 7.7 t60 -52.57 109.69 0.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.572 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.469 ' CB ' ' HB2' ' A' ' 111' ' ' ASP . 0.3 OUTLIER -140.34 66.41 29.94 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.519 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.1 Cg_endo -75.02 169.13 23.29 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.538 1.81 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.519 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -74.98 -11.0 24.22 Favored 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 121.047 -2.48 . . . . 0.0 111.013 0.035 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 107' ' ' SER . 33.3 p -59.96 -85.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 110.417 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.469 ' HB2' ' CB ' ' A' ' 107' ' ' SER . 26.5 m-20 -74.66 146.98 41.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.486 ' CD2' ' HB3' ' A' ' 108' ' ' PRO . 22.9 mt -140.38 161.29 38.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.495 ' N ' ' HD1' ' A' ' 106' ' ' HIS . 46.9 t -128.67 128.72 68.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.487 ' CD2' ' HB2' ' A' ' 117' ' ' GLN . 4.8 t90 -87.33 107.86 18.71 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.32 -36.23 16.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -54.89 -48.56 72.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.487 ' HB2' ' CD2' ' A' ' 114' ' ' TRP . 0.7 OUTLIER -100.13 172.97 6.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -113.45 -19.83 11.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 10.5 t -158.81 166.74 31.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.416 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.506 ' O ' ' CZ ' ' A' ' 71' ' ' ARG . 54.6 m95 -94.95 34.88 1.31 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 108.007 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . 0.448 ' C ' ' ND2' ' A' ' 73' ' ' ASN . . . 67.2 146.23 0.09 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 1.5 p -128.97 -175.11 3.45 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 119.08 157.98 10.55 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.525 1.141 . . . . 0.0 110.96 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 145' ' ' ARG . 4.2 p -56.08 -49.08 74.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 0.752 . . . . 0.0 109.967 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.524 ' HA ' ' CG2' ' A' ' 144' ' ' VAL . 4.3 m -94.18 125.14 38.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.031 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.402 ' CD1' ' HB2' ' A' ' 47' ' ' GLU . 0.8 OUTLIER -134.31 155.48 50.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.19 123.35 5.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.301 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 51.8 m -119.64 153.23 35.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.379 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -153.08 158.78 42.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 13.9 tp -122.41 129.7 52.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.418 ' O ' ' OE1' ' A' ' 68' ' ' GLN . 20.5 mm -113.61 122.51 67.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.273 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 133' ' ' SER . 9.9 p30 -74.74 -174.25 2.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.241 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 132' ' ' ASN . 1.0 OUTLIER -35.13 -61.18 0.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.959 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 136' ' ' GLU . 51.8 p -76.91 160.11 29.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.42 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -68.41 59.49 0.44 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.478 1.111 . . . . 0.0 111.053 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 134' ' ' THR . 12.5 tt0 -137.24 140.46 41.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 0.771 . . . . 0.0 110.277 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.407 ' HG2' ' N ' ' A' ' 138' ' ' VAL . 24.9 tt0 -83.88 145.04 28.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 37' ' ' SER . 1.6 m -114.16 -39.05 2.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -144.66 162.78 35.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 15.6 ptm -146.64 153.37 40.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.4 ' HD2' ' CG1' ' A' ' 42' ' ' VAL . 20.8 ttm-85 -141.81 93.08 2.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -88.69 149.02 23.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -158.2 114.86 2.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.524 ' CG2' ' HA ' ' A' ' 125' ' ' SER . 5.3 p -123.44 153.2 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 64.3 ttt180 -101.05 140.57 35.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.301 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 71.22 -73.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.992 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 142.71 156.62 6.85 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -64.28 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.484 1.781 . . . . 0.0 111.045 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 60.1 p -65.86 164.53 14.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.008 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.2 m -139.84 114.59 9.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.984 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.52 1.138 . . . . 0.0 111.012 179.972 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.9 t -178.47 148.48 0.46 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.4 0.706 . . . . 0.0 110.031 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.2 p -178.79 169.83 1.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.009 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.93 157.52 7.97 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.4 p -175.59 -58.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.515 0.774 . . . . 0.0 109.976 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.3 p 63.43 174.31 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 110.001 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.49 -123.56 7.6 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.485 1.116 . . . . 0.0 110.961 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 69.2 70.9 0.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 0.0 110.297 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.4 p -166.58 155.69 10.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.008 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -178.28 154.26 0.82 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -176.49 -175.73 44.07 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.75 178.2 19.31 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 113.85 161.19 14.06 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.1 t -176.26 -62.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.748 . . . . 0.0 110.039 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.5 t 56.04 78.96 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.1 t -168.22 118.26 0.77 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.429 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -174.91 121.04 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.08 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.09 63.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 109.366 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.75 122.89 10.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.265 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -155.63 176.74 12.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -174.51 63.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -179.4 117.9 0.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.135 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.5 m -129.96 95.73 4.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 110.008 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.8 m 42.53 82.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.985 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -88.01 -63.27 1.33 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.276 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m 46.98 90.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.977 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 57.73 163.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.13 150.24 4.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.979 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 62.0 m -124.02 153.19 41.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.022 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.581 ' CE2' ' CD ' ' A' ' 47' ' ' GLU . 9.3 m-30 -48.16 157.72 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 144' ' ' VAL . 12.9 t -67.92 69.34 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.996 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 30' ' ' PHE . 10.1 mt-30 -52.9 149.23 6.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.362 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 -159.8 78.49 0.69 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.138 . . . . 0.0 109.604 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.449 ' CB ' ' HA ' ' A' ' 141' ' ' ARG . . . -101.61 157.82 16.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -155.75 110.56 2.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.9 147.12 28.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 110.414 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.2 OUTLIER -156.25 81.78 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.977 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.38 -131.81 2.84 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -107.66 -40.84 5.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 0.77 . . . . 0.0 110.33 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.424 ' CG1' ' N ' ' A' ' 41' ' ' ALA . 99.3 t -91.53 166.33 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.424 ' N ' ' CG1' ' A' ' 40' ' ' VAL . . . -152.31 137.65 17.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.443 ' CG1' HG23 ' A' ' 45' ' ' VAL . 41.9 t -66.28 89.31 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.77 -67.57 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.273 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -158.96 133.97 8.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.443 HG23 ' CG1' ' A' ' 42' ' ' VAL . 11.4 t -123.09 121.07 62.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.52 ' CG ' ' CE1' ' A' ' 51' ' ' PHE . 5.5 m-20 -57.93 116.46 3.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.581 ' CD ' ' CE2' ' A' ' 30' ' ' PHE . 6.9 pt-20 -48.98 -40.24 29.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.286 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -62.68 -37.36 86.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.472 ' CA ' ' HB2' ' A' ' 120' ' ' TRP . . . 101.37 38.19 3.34 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.99 -38.04 23.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 0.767 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.52 ' CE1' ' CG ' ' A' ' 46' ' ' ASP . 43.8 p90 -162.35 159.51 25.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.521 HG22 ' CE2' ' A' ' 120' ' ' TRP . 42.4 t -123.22 115.6 46.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -100.5 122.98 44.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.479 ' CD1' HD13 ' A' ' 69' ' ' ILE . 6.0 mt -116.73 135.61 53.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -123.5 151.19 43.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 110.288 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -103.26 129.26 50.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -102.67 -15.8 16.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.0 t -66.47 170.56 5.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.018 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.473 ' C ' ' CB ' ' A' ' 91' ' ' ALA . 2.9 p30 -101.41 -25.19 14.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -100.13 137.04 39.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -46.03 138.69 4.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.321 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 89' ' ' LEU . 49.6 tp60 -103.97 119.17 38.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.281 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 39.6 p -82.18 117.68 22.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.991 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.466 ' HE2' ' CD2' ' A' ' 83' ' ' PHE . 20.4 mtp -112.59 45.38 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.513 ' O ' ' ND2' ' A' ' 66' ' ' ASN . . . -86.93 55.43 4.62 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.533 1.145 . . . . 0.0 110.974 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.513 ' ND2' ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER 154.9 -23.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.762 . . . . 0.0 109.306 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.412 ' O ' ' O ' ' A' ' 66' ' ' ASN . 11.1 m0 -44.45 165.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.407 ' CG ' ' C ' ' A' ' 67' ' ' TRP . 3.7 mt-30 -152.07 169.07 23.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.607 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 8.4 mt -129.58 125.75 61.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.69 135.98 40.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.469 ' HB3' ' CG ' ' A' ' 79' ' ' MET . 4.8 tpp180 -134.97 104.43 5.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.87 141.15 36.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.137 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -135.51 135.24 40.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -48.48 140.31 10.68 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.443 1.089 . . . . 0.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 40.58 57.18 2.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 0.771 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -163.3 166.15 13.38 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 161.5 38.8 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.538 1.809 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.3 tp -107.32 130.49 54.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.625 ' SD ' ' CH2' ' A' ' 114' ' ' TRP . 17.1 ptp -112.83 151.21 30.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 57.4 m -132.83 97.35 4.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.407 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.585 ' HB2' ' CH2' ' A' ' 114' ' ' TRP . 77.9 t80 -75.99 96.35 3.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.5 ttt180 -80.06 128.62 33.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.271 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.607 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 14.6 m-85 -76.33 166.14 47.3 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.501 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.2 Cg_endo -75.0 146.49 32.69 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.55 1.816 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.405 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.4 Cg_endo -74.98 23.83 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.463 1.77 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.501 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.0 OUTLIER -142.05 30.03 1.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -113.24 151.06 31.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.2 m -155.0 113.16 3.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.459 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 62' ' ' GLN . 49.1 tp -86.44 95.81 9.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.0 mtpt -48.47 164.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.473 ' CB ' ' C ' ' A' ' 59' ' ' ASN . . . -76.84 133.72 39.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.86 6.34 87.12 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -95.07 173.27 7.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 0.768 . . . . 0.0 110.284 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.41 HG22 ' N ' ' A' ' 95' ' ' VAL . 8.1 p -141.93 158.66 20.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.465 ' CG2' ' O ' ' A' ' 110' ' ' THR . 14.1 p -144.78 149.67 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.472 HG22 ' CE2' ' A' ' 98' ' ' TRP . 33.5 m -122.74 131.04 53.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 110.368 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.427 HG22 ' CE2' ' A' ' 81' ' ' TYR . 4.6 mp -116.59 79.78 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.486 ' CG ' ' CB ' ' A' ' 104' ' ' ALA . 53.7 m95 -64.5 160.62 18.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 107.979 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 102' ' ' ALA . . . -108.51 139.6 43.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 99' ' ' ALA . 4.6 t -36.4 -54.64 0.84 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.995 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 118' ' ' ASN . . . -47.98 -46.82 26.31 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.52 1.137 . . . . 0.0 111.068 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 99' ' ' ALA . . . -47.12 -57.84 4.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 93.16 22.9 26.2 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.486 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -58.88 -160.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -125.53 116.36 21.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 110.388 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -58.4 111.4 1.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 109.601 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.501 ' CB ' ' HB2' ' A' ' 111' ' ' ASP . 0.3 OUTLIER -142.73 68.8 19.58 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.028 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.523 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.4 Cg_endo -75.0 169.38 22.75 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.523 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.2 Cg_endo -75.0 -10.85 24.25 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 121.011 -2.495 . . . . 0.0 111.006 -0.006 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.465 ' O ' ' CG2' ' A' ' 95' ' ' VAL . 33.0 p -59.75 -82.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.412 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.501 ' HB2' ' CB ' ' A' ' 107' ' ' SER . 71.3 m-20 -72.03 147.71 46.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.481 ' CD2' ' HB3' ' A' ' 108' ' ' PRO . 45.7 mt -146.23 144.89 30.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 40.6 t -119.9 116.27 49.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.247 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.658 ' CG ' ' HG3' ' A' ' 117' ' ' GLN . 6.1 t90 -82.02 103.27 11.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 108.019 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.465 ' O ' ' C ' ' A' ' 116' ' ' ALA . 35.2 mttt -82.89 -47.1 12.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.465 ' C ' ' O ' ' A' ' 115' ' ' LYS . . . -35.19 -51.49 0.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.658 ' HG3' ' CG ' ' A' ' 114' ' ' TRP . 0.0 OUTLIER -98.63 176.03 5.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.31 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 101' ' ' GLY . 0.3 OUTLIER -116.64 -30.79 5.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.158 . . . . 0.0 109.285 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' THR . . . . . 0.482 ' C ' ' NE2' ' A' ' 117' ' ' GLN . 9.3 t -152.98 127.95 9.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 110.411 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.521 ' CE2' HG22 ' A' ' 52' ' ' VAL . 40.0 m95 -43.76 -42.79 5.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 107.986 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 133.78 115.33 1.58 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.454 1.097 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 2.7 m -93.78 -179.2 4.92 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 130.75 155.2 8.17 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.532 1.145 . . . . 0.0 110.984 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 90.4 p -61.72 -43.43 98.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.988 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 43.0 t -99.63 117.25 33.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.013 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.13 150.65 50.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.411 1.07 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -154.21 104.22 2.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.264 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.423 HG22 ' N ' ' A' ' 129' ' ' ALA . 18.6 m -96.07 163.71 13.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.428 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.423 ' N ' HG22 ' A' ' 128' ' ' THR . . . -159.24 162.75 36.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 13.5 tp -126.06 133.34 51.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.243 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.409 ' CD1' ' HA ' ' A' ' 137' ' ' GLU . 32.0 mm -116.5 147.49 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ASN . . . . . 0.405 ' OD1' ' N ' ' A' ' 134' ' ' THR . 14.5 p30 -97.34 -171.63 2.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.407 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . 0.0 OUTLIER -41.53 -48.12 3.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.98 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 136' ' ' GLU . 15.4 p -89.11 157.93 18.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.38 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -66.5 64.57 0.17 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.524 1.14 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 134' ' ' THR . 10.2 tt0 -143.96 138.02 28.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 0.785 . . . . 0.0 110.313 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.409 ' HA ' ' CD1' ' A' ' 131' ' ' ILE . 6.8 tt0 -81.69 146.09 30.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 37' ' ' SER . 0.9 OUTLIER -116.25 -37.54 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -141.12 158.35 44.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 18.1 ptm -139.82 151.85 46.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 111.029 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.449 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 13.8 ttm-85 -141.5 84.58 1.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 62.9 tttt -79.41 152.24 30.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.429 ' CD2' ' HB3' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -158.03 118.54 3.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.345 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 31' ' ' SER . 2.6 t -127.54 126.89 68.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . 0.572 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 25.9 ttt180 -79.91 140.04 36.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 2.3 m -105.76 105.87 16.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.013 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -161.08 157.16 28.67 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.13 . . . . 0.0 111.047 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 153.64 42.02 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.534 1.807 . . . . 0.0 110.997 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 83.0 p -164.82 133.21 3.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.998 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -44.09 161.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 110.002 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 O-C-N 124.496 1.123 . . . . 0.0 111.006 179.995 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.622 -0.511 . . . . 0.0 109.622 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -103.25 158.35 16.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.71 99.79 1.88 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.127 . . . . 0.0 110.28 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -79.07 148.11 32.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.418 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.2 OUTLIER -156.25 82.16 0.99 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.988 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 157.77 -133.76 3.64 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.47 ' CG ' ' HB3' ' A' ' 58' ' ' SER . 4.4 mtm180 -108.1 -41.12 5.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 0.802 . . . . 0.0 110.321 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.4 t -91.42 144.29 9.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -132.96 143.37 49.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.938 ' HA ' HD23 ' A' ' 54' ' ' LEU . 59.9 t -70.49 88.38 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -40.39 -67.23 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.272 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -159.77 132.39 6.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.319 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.824 HG22 HG13 ' A' ' 52' ' ' VAL . 8.0 t -120.95 112.29 35.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -53.32 118.62 3.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.503 ' O ' HD13 ' A' ' 126' ' ' LEU . 5.0 pt-20 -53.88 -37.43 63.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -62.57 -24.72 67.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.284 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.23 33.04 12.38 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.503 1.127 . . . . 0.0 111.052 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.3 mtmm -77.87 -44.42 27.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 0.747 . . . . 0.0 109.327 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.557 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 48.3 p90 -158.34 160.42 36.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.824 HG13 HG22 ' A' ' 45' ' ' VAL . 46.6 t -121.92 112.97 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.95 121.18 37.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.938 HD23 ' HA ' ' A' ' 42' ' ' VAL . 31.2 mt -117.41 129.47 55.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.422 ' CZ ' ' HE2' ' A' ' 57' ' ' LYS . 0.5 OUTLIER -121.25 150.06 41.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -96.78 142.85 28.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.422 ' HE2' ' CZ ' ' A' ' 55' ' ' ARG . 5.7 mmtt -110.04 -25.31 10.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.47 ' HB3' ' CG ' ' A' ' 39' ' ' ARG . 62.2 p -64.53 169.14 5.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.982 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.464 ' HA ' ' HB1' ' A' ' 91' ' ' ALA . 4.2 p30 -105.31 -11.39 16.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.157 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 61' ' ' ASP . 7.2 mt-10 -105.22 126.2 51.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.447 ' OD2' ' CE ' ' A' ' 90' ' ' LYS . 0.2 OUTLIER -40.35 127.68 2.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 89' ' ' LEU . 56.1 tp60 -99.48 128.73 45.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.33 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 74.3 p -91.31 124.07 35.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.996 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.588 ' HA ' ' CD1' ' A' ' 67' ' ' TRP . 0.3 OUTLIER -116.96 45.36 1.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.516 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -86.18 58.15 4.75 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.446 1.091 . . . . 0.0 111.056 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.516 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 1.1 m-20 154.62 -23.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 0.77 . . . . 0.0 109.332 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.588 ' CD1' ' HA ' ' A' ' 64' ' ' MET . 11.8 m0 -43.88 163.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 131' ' ' ILE . 5.9 mt-30 -151.86 167.04 29.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.797 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 4.0 mt -127.62 122.56 59.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.3 mtt-85 -91.3 121.26 32.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.416 1.073 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.72 ' O ' HD12 ' A' ' 78' ' ' LEU . 17.3 tpt180 -116.85 112.13 20.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 110.28 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.539 ' HB2' HD13 ' A' ' 78' ' ' LEU . 0.4 OUTLIER -130.43 110.26 11.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.292 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.643 ' HB3' HD23 ' A' ' 126' ' ' LEU . 1.8 m-20 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.72 HD12 ' O ' ' A' ' 71' ' ' ARG . 6.9 tp . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.424 ' HE3' ' HG3' ' A' ' 117' ' ' GLN . 1.5 mpp? -107.03 130.45 54.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 16.9 m -110.42 95.2 5.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.369 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -72.0 97.32 1.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 111.011 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -80.67 118.13 21.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.137 . . . . 0.0 110.31 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.797 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 17.7 m-85 -63.61 167.69 6.74 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 18.3 Cg_endo -74.99 148.78 35.81 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.464 1.771 . . . . 0.0 110.982 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.497 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.2 Cg_endo -75.0 4.65 4.55 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.51 1.795 . . . . 0.0 111.03 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.53 50.14 2.04 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -128.72 143.76 51.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.6 m -143.67 112.21 6.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.44 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 62' ' ' GLN . 47.9 tp -87.52 93.61 9.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.447 ' CE ' ' OD2' ' A' ' 61' ' ' ASP . 12.7 mtpt -47.34 168.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.464 ' HB1' ' HA ' ' A' ' 59' ' ' ASN . . . -76.6 135.59 39.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 70.65 7.5 61.45 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.77 173.36 10.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 0.753 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.1 p -145.21 155.9 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.256 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 110' ' ' THR . 10.3 p -144.31 147.12 19.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 112' ' ' LEU . 21.6 m -122.12 122.98 40.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.386 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.545 ' N ' HD12 ' A' ' 97' ' ' ILE . 4.0 mp -108.25 84.72 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.347 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.557 ' CE3' ' HB3' ' A' ' 51' ' ' PHE . 69.7 m95 -69.24 164.37 22.89 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.683 ' HB1' ' HA ' ' A' ' 119' ' ' THR . . . -105.66 145.2 31.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.257 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 99' ' ' ALA . 1.8 t -38.4 -55.03 1.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.013 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -95.55 75.79 0.85 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.506 1.129 . . . . 0.0 110.951 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 103' ' ' GLY . . . -156.81 25.79 0.33 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 0.77 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 102' ' ' ALA . . . 36.58 53.28 1.4 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.463 1.102 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.448 ' CB ' ' HB3' ' A' ' 98' ' ' TRP . . . -101.35 -168.0 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.775 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -149.49 107.45 3.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.409 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.563 ' CE1' HD23 ' A' ' 112' ' ' LEU . 7.1 t60 -48.74 107.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.598 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.472 ' CB ' ' HB2' ' A' ' 111' ' ' ASP . 0.4 OUTLIER -139.31 65.46 34.88 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.036 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.531 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.1 Cg_endo -75.04 168.87 23.85 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.525 1.803 . . . . 0.0 110.977 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.531 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.4 Cg_endo -74.95 -14.82 22.76 Favored 'Cis proline' 0 C--N 1.359 1.125 0 C-N-CA 121.061 -2.475 . . . . 0.0 111.003 -0.017 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.576 ' O ' HG23 ' A' ' 95' ' ' VAL . 68.0 p -55.68 -81.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 110.415 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.48 ' N ' ' OG1' ' A' ' 110' ' ' THR . 5.4 m-20 -79.48 149.14 31.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.563 HD23 ' CE1' ' A' ' 106' ' ' HIS . 24.7 mt -140.56 163.55 32.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.466 HG23 ' HA ' ' A' ' 106' ' ' HIS . 53.4 t -132.34 112.89 20.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.51 ' NE1' ' HB3' ' A' ' 116' ' ' ALA . 6.8 t90 -75.32 97.19 3.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 107.982 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.83 -46.34 18.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.51 ' HB3' ' NE1' ' A' ' 114' ' ' TRP . . . -39.93 -56.07 1.89 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.504 ' HB2' ' CE2' ' A' ' 114' ' ' TRP . 2.3 mm-40 -90.14 176.17 6.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.342 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.444 ' OD1' HG22 ' A' ' 119' ' ' THR . 1.2 p30 -109.81 -22.68 11.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.683 ' HA ' ' HB1' ' A' ' 99' ' ' ALA . 14.2 t -174.9 143.85 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.406 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 70.3 m95 -54.13 -46.06 72.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 107.985 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 132.07 142.2 4.88 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 2.9 m -111.4 -176.39 2.93 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 126.33 158.63 9.96 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.477 1.111 . . . . 0.0 111.038 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 4.6 p -59.45 -53.04 62.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 0.743 . . . . 0.0 109.993 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.5 m -95.02 125.07 39.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.949 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.643 HD23 ' HB3' ' A' ' 73' ' ' ASN . 0.3 OUTLIER -134.89 151.21 50.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.409 ' CB ' ' O ' ' A' ' 72' ' ' GLN . 7.1 ttt-85 -139.12 121.04 15.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.32 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.425 HG21 HG21 ' A' ' 45' ' ' VAL . 24.1 m -131.62 114.31 14.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.405 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -122.33 162.82 20.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.473 HD23 HG23 ' A' ' 138' ' ' VAL . 14.3 tp -115.85 127.83 55.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.526 HD13 ' HA ' ' A' ' 137' ' ' GLU . 26.5 mm -114.83 116.48 52.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ASN . . . . . 0.579 HD22 HG13 ' A' ' 138' ' ' VAL . 16.0 p30 -66.08 -174.15 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 132' ' ' ASN . 0.0 OUTLIER -37.48 -61.67 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.031 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 136' ' ' GLU . 70.7 p -75.07 161.3 29.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.419 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -68.49 58.64 0.46 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 134' ' ' THR . 18.7 tt0 -136.41 136.95 39.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 0.746 . . . . 0.0 110.271 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.526 ' HA ' HD13 ' A' ' 131' ' ' ILE . 4.6 tt0 -84.77 139.44 31.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.579 HG13 HD22 ' A' ' 132' ' ' ASN . 1.6 m -109.15 -40.29 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -140.01 146.45 39.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.26 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 19.8 ptm -128.78 152.18 48.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.417 ' HD3' ' CG1' ' A' ' 42' ' ' VAL . 0.8 OUTLIER -146.97 95.26 2.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 142' ' ' LYS . . . . . 0.568 ' O ' HD12 ' A' ' 143' ' ' LEU . 32.5 tttt -98.8 153.17 18.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.568 HD12 ' O ' ' A' ' 142' ' ' LYS . 0.3 OUTLIER -148.06 123.79 10.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 11.7 t -125.28 123.76 65.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 27.3 ttt85 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.275 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.503 ' HB2' ' HG3' ' A' ' 141' ' ' ARG . . . -97.62 161.69 13.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -164.12 115.92 1.34 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -92.91 146.78 23.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.394 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 138' ' ' VAL . 4.8 m -156.14 81.91 0.99 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.003 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.25 -138.0 5.43 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.435 ' CZ ' HE22 ' A' ' 62' ' ' GLN . 32.5 mtm180 -102.25 -42.44 6.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.762 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 95.6 t -91.66 152.39 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 43' ' ' GLU . . . -139.01 132.98 31.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.62 ' CG1' HG23 ' A' ' 45' ' ' VAL . 81.1 t -58.72 86.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -38.68 -59.88 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.308 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -168.2 128.02 1.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.637 HG22 HG13 ' A' ' 52' ' ' VAL . 9.0 t -118.0 111.81 35.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -55.64 113.08 1.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.74 ' HB3' HD22 ' A' ' 143' ' ' LEU . 4.5 pt-20 -54.63 -34.23 61.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.438 1.086 . . . . 0.0 110.281 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.428 ' HA ' ' SG ' ' A' ' 122' ' ' CYS . 2.8 mt-10 -57.48 -26.29 61.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.314 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.431 ' CA ' ' HB2' ' A' ' 120' ' ' TRP . . . 86.85 45.07 5.55 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 99' ' ' ALA . 7.0 mtmm -98.18 -51.34 4.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.556 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 45.3 p90 -150.8 155.48 39.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.969 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.637 HG13 HG22 ' A' ' 45' ' ' VAL . 3.8 t -118.12 112.95 40.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.443 ' HG3' HG23 ' A' ' 96' ' ' THR . 0.1 OUTLIER -95.13 127.92 41.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.272 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' A' ' 42' ' ' VAL . 12.0 mt -124.76 127.08 46.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.8 ttp180 -120.35 148.01 44.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 58' ' ' SER . 40.2 t-20 -93.77 139.71 30.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.426 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 9.3 mmtt -108.56 -35.09 6.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.467 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 2.3 t -62.42 172.29 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.977 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.428 ' HA ' ' HB1' ' A' ' 91' ' ' ALA . 4.3 p30 -102.46 -17.58 15.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.264 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -92.36 123.16 35.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -46.32 125.31 6.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.435 HE22 ' CZ ' ' A' ' 39' ' ' ARG . 7.4 tp-100 -91.07 128.28 36.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.3 m -93.58 117.65 30.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.99 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.547 ' HA ' ' CD1' ' A' ' 67' ' ' TRP . 6.4 mtp -109.09 42.79 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.543 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -84.85 56.15 5.0 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.543 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 1.3 m-20 153.11 -22.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.547 ' CD1' ' HA ' ' A' ' 64' ' ' MET . 12.1 m0 -45.08 167.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 107.987 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -149.33 169.82 19.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.268 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 1.034 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 6.1 mt -129.76 116.63 38.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.549 ' CZ ' HD21 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -92.89 115.56 28.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.249 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -113.75 102.56 10.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.756 ' HB2' HD13 ' A' ' 78' ' ' LEU . 3.3 tp-100 -105.35 131.99 52.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.267 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.434 ' N ' ' OE1' ' A' ' 72' ' ' GLN . 82.6 m-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.756 HD13 ' HB2' ' A' ' 72' ' ' GLN . 18.7 tp . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -115.35 152.45 32.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 88.5 m -138.31 89.56 2.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.443 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.621 ' CD1' HD12 ' A' ' 69' ' ' ILE . 38.0 t80 -72.88 103.32 3.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.54 117.82 23.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.143 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 1.034 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 18.7 m-85 -63.14 167.53 6.21 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 18.3 Cg_endo -75.04 150.62 38.25 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.523 1.801 . . . . 0.0 110.942 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.506 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.3 Cg_endo -75.02 3.16 5.88 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.497 1.788 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.406 ' N ' ' HD2' ' A' ' 86' ' ' LYS . 0.2 OUTLIER -123.67 45.74 2.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.582 1.176 . . . . 0.0 109.259 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.56 ' HZ ' HG21 ' A' ' 95' ' ' VAL . 11.3 t80 -128.13 141.37 51.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 111.031 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.1 m -147.04 112.53 5.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.383 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 62' ' ' GLN . 48.0 tp -85.84 97.58 10.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.3 mtpt -50.58 168.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.467 ' HB1' ' O ' ' A' ' 58' ' ' SER . . . -79.85 134.81 36.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 76.62 2.81 76.91 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -90.4 176.01 6.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.5 p -146.52 157.5 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.249 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 110' ' ' THR . 7.7 p -143.12 146.89 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 109.36 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 112' ' ' LEU . 3.0 m -119.73 131.31 55.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.381 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.584 HD12 ' O ' ' A' ' 52' ' ' VAL . 4.2 mp -118.24 80.37 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.556 ' CE3' ' HB3' ' A' ' 51' ' ' PHE . 43.7 m95 -65.44 165.05 12.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 108.056 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.641 ' HB1' ' HA ' ' A' ' 119' ' ' THR . . . -111.42 138.76 47.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 99' ' ' ALA . 3.5 t -38.11 -45.01 0.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.965 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -45.36 -63.76 2.57 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.54 162.23 2.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 0.761 . . . . 0.0 109.338 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -97.48 48.82 1.5 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.474 1.109 . . . . 0.0 111.018 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.495 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -76.0 -175.74 3.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -134.53 120.55 19.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.381 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.452 ' CE1' HD23 ' A' ' 112' ' ' LEU . 15.6 t60 -58.16 111.29 1.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.627 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.473 ' CB ' ' HB2' ' A' ' 111' ' ' ASP . 0.5 OUTLIER -143.14 69.3 18.06 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.011 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.534 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.2 Cg_endo -75.0 169.02 23.55 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.486 1.782 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.534 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -75.03 -12.81 23.98 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.05 -2.479 . . . . 0.0 111.03 0.05 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.729 ' O ' HG23 ' A' ' 95' ' ' VAL . 43.3 p -58.81 -88.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.389 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.544 ' N ' ' OG1' ' A' ' 110' ' ' THR . 77.6 m-20 -67.29 148.06 52.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.472 ' CD2' ' HB3' ' A' ' 108' ' ' PRO . 36.3 mt -145.29 151.75 38.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 53.8 t -124.74 115.33 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.501 ' CD2' ' HB2' ' A' ' 117' ' ' GLN . 7.0 t90 -77.0 95.16 4.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 108.038 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -79.43 -46.09 18.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.348 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -40.3 -43.48 1.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.501 ' HB2' ' CD2' ' A' ' 114' ' ' TRP . 1.3 mm100 -101.69 176.33 5.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.29 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.421 ' O ' ' HB ' ' A' ' 119' ' ' THR . 0.2 OUTLIER -114.56 -8.87 12.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.641 ' HA ' ' HB1' ' A' ' 99' ' ' ALA . 1.3 t 179.66 160.03 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.365 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.431 ' HB2' ' CA ' ' A' ' 49' ' ' GLY . 51.0 m95 -77.47 -32.88 54.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 108.025 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 118.56 132.91 4.65 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.592 ' C ' HD21 ' A' ' 126' ' ' LEU . 1.1 t -106.16 -153.22 0.49 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 110.48 176.29 20.71 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.544 1.152 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.64 -26.53 25.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.764 . . . . 0.0 109.974 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -113.53 118.07 33.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.991 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.592 HD21 ' C ' ' A' ' 122' ' ' CYS . 0.5 OUTLIER -135.03 154.05 51.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -158.05 104.94 1.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.29 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.403 HG21 HG21 ' A' ' 45' ' ' VAL . 5.8 m -98.7 154.48 17.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 110.375 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -151.07 154.22 36.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.105 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.498 HD23 HG23 ' A' ' 138' ' ' VAL . 14.3 tp -119.8 130.32 54.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.767 HD13 ' HA ' ' A' ' 137' ' ' GLU . 18.2 mm -117.02 146.65 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 136' ' ' GLU . 7.4 p30 -92.45 -172.5 3.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.455 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . 28.0 t -44.88 -38.19 4.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.013 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 136' ' ' GLU . 3.6 p -94.59 158.36 15.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.368 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -67.58 63.32 0.29 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.518 1.136 . . . . 0.0 111.04 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' GLU . . . . . 0.463 ' O ' HG23 ' A' ' 131' ' ' ILE . 14.4 tt0 -145.35 134.86 23.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.767 ' HA ' HD13 ' A' ' 131' ' ' ILE . 7.0 tt0 -80.81 146.83 30.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.346 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.498 HG23 HD23 ' A' ' 130' ' ' LEU . 1.2 m -114.58 -35.67 2.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -149.51 161.59 41.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 4.6 ppp? -150.18 155.74 40.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 111.017 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.503 ' HG3' ' HB2' ' A' ' 34' ' ' ALA . 4.2 ttm-85 -138.27 85.22 2.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 36.0 tttt -74.74 147.78 41.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.74 HD22 ' HB3' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -149.56 104.06 3.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 3.7 t -113.87 122.5 68.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 61.9 ttt-85 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.314 179.985 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 55.5 m-70 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -93.51 162.26 14.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.06 105.9 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.462 HG21 ' HB2' ' A' ' 41' ' ' ALA . 0.9 OUTLIER -87.51 148.61 24.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.162 . . . . 0.0 110.383 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 138' ' ' VAL . 7.7 m -155.03 82.66 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.006 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 158.4 -138.21 5.63 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.531 1.144 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.9 mtm180 -102.54 -35.9 8.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 0.742 . . . . 0.0 110.291 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 87.3 t -94.92 156.68 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.462 ' HB2' HG21 ' A' ' 36' ' ' THR . . . -144.94 133.56 22.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.098 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.518 ' CG1' HG23 ' A' ' 45' ' ' VAL . 58.0 t -61.1 87.86 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -38.54 -58.2 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -172.39 135.81 0.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.885 HG22 HG13 ' A' ' 52' ' ' VAL . 11.5 t -122.04 114.45 42.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.469 ' OD2' ' CE2' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -53.78 113.44 1.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.686 ' HB3' HD22 ' A' ' 143' ' ' LEU . 5.1 pt-20 -56.08 -37.06 68.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 110.268 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -56.34 -25.56 49.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 84.97 63.71 1.58 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.472 1.108 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.5 mtmt -118.99 -52.08 2.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.582 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 37.2 p90 -144.94 159.75 42.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 111.03 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.885 HG13 HG22 ' A' ' 45' ' ' VAL . 73.8 t -120.79 111.68 32.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.408 ' HG3' HG23 ' A' ' 96' ' ' THR . 0.0 OUTLIER -93.05 127.96 38.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 110.262 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.585 HD11 HD13 ' A' ' 69' ' ' ILE . 8.0 mt -129.62 127.4 40.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.1 ttp180 -123.19 147.38 46.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -89.44 145.56 25.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.1 mmpt? -109.76 -28.32 8.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.9 t -63.02 174.62 1.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 110.013 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.04 -12.27 15.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -103.65 129.2 50.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.359 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.59 126.3 6.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -96.81 127.86 43.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.313 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.0 t -90.6 123.63 34.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.419 1.074 . . . . 0.0 109.979 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 20.0 mtp -108.38 36.61 2.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -79.91 54.94 4.49 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 1.0 OUTLIER 156.77 -27.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 0.756 . . . . 0.0 109.309 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.506 ' CG ' ' HA ' ' A' ' 132' ' ' ASN . 11.6 m0 -46.81 153.79 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.425 ' HG3' ' C ' ' A' ' 67' ' ' TRP . 0.0 OUTLIER -136.17 173.73 11.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 1.123 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 3.1 mt -136.69 115.52 15.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.418 ' HB2' ' HB3' ' A' ' 129' ' ' ALA . 47.1 mtt-85 -91.52 134.96 34.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -134.78 116.37 14.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.947 ' HB2' HD13 ' A' ' 78' ' ' LEU . 15.9 tm0? -137.16 110.18 7.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.329 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.731 ' HB3' HD23 ' A' ' 126' ' ' LEU . 32.9 m-20 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.947 HD13 ' HB2' ' A' ' 72' ' ' GLN . 11.6 tp . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 49.2 mtm -108.7 155.0 21.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 66.2 m -140.37 101.35 4.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.4 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -82.77 102.52 11.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.956 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 -86.1 115.98 24.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 110.302 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 1.123 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 29.0 m-85 -61.74 166.02 6.67 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.512 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.2 Cg_endo -75.06 145.47 31.29 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.531 1.806 . . . . 0.0 110.952 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.459 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.4 Cg_endo -74.97 24.23 0.39 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.474 1.776 . . . . 0.0 111.034 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.512 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.0 OUTLIER -144.25 41.99 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -125.31 137.71 54.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.1 m -135.78 113.39 10.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 110.384 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.407 ' O ' ' O ' ' A' ' 90' ' ' LYS . 36.2 tp -89.0 95.91 10.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 89' ' ' LEU . 0.7 OUTLIER -44.29 166.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.275 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.41 136.36 37.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.96 7.72 71.44 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.55 1.156 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -93.16 172.59 8.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.772 . . . . 0.0 110.36 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.5 p -141.44 158.15 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 109' ' ' PRO . 2.4 p -143.45 131.64 19.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 112' ' ' LEU . 6.7 m -107.78 123.29 48.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 110.371 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.572 ' N ' HD12 ' A' ' 97' ' ' ILE . 4.1 mp -107.36 84.08 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.582 ' CE3' ' HB3' ' A' ' 51' ' ' PHE . 53.6 m95 -67.98 164.14 20.64 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.418 ' O ' ' HB3' ' A' ' 102' ' ' ALA . . . -112.14 141.35 45.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 99' ' ' ALA . 2.4 t -37.45 -51.3 1.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.981 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 118' ' ' ASN . . . -81.14 55.12 4.8 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.535 1.147 . . . . 0.0 111.022 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 99' ' ' ALA . . . -135.55 -46.71 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 100.61 24.61 9.21 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.559 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -80.74 -170.01 2.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 0.731 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.1 m -134.29 121.78 21.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 110.396 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.473 ' NE2' ' HG3' ' A' ' 108' ' ' PRO . 20.6 t60 -58.11 93.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.659 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 111' ' ' ASP . 0.5 OUTLIER -130.32 66.54 78.39 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.028 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.568 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.2 Cg_endo -75.1 169.86 21.66 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.486 1.782 . . . . 0.0 110.982 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.568 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.2 Cg_endo -75.01 -12.91 23.92 Favored 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 121.02 -2.492 . . . . 0.0 110.99 0.032 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 107' ' ' SER . 37.5 p -56.86 -83.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.423 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 107' ' ' SER . 0.8 OUTLIER -81.84 144.11 31.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.53 HD21 ' HB3' ' A' ' 108' ' ' PRO . 15.4 mt -139.69 162.31 35.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 65.2 t -132.67 122.31 46.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.504 ' CD2' ' HB2' ' A' ' 117' ' ' GLN . 7.0 t90 -86.3 97.59 10.48 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -80.05 -44.82 19.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.428 ' HB3' ' NE1' ' A' ' 114' ' ' TRP . . . -42.25 -40.73 2.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.504 ' HB2' ' CD2' ' A' ' 114' ' ' TRP . 1.0 OUTLIER -107.37 175.65 5.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.263 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 101' ' ' GLY . 3.6 p30 -114.88 -24.44 8.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.431 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 14.1 t -161.22 148.77 15.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.138 . . . . 0.0 110.391 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.47 ' CE2' ' CG2' ' A' ' 52' ' ' VAL . 46.7 m95 -67.9 -41.62 82.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 107.962 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 134.62 137.73 3.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.477 1.11 . . . . 0.0 111.035 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 7.1 p -117.43 -170.85 1.93 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.51 ' O ' HD21 ' A' ' 126' ' ' LEU . . . 118.37 151.95 9.21 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.472 1.108 . . . . 0.0 110.97 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 74.5 p -53.6 -45.52 70.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 0.78 . . . . 0.0 110.008 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 59.7 p -93.9 120.8 34.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.963 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.731 HD23 ' HB3' ' A' ' 73' ' ' ASN . 0.4 OUTLIER -136.73 151.37 49.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 16.0 ttp85 -159.5 114.83 2.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.338 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 8.6 m -111.19 158.68 18.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.398 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.418 ' HB3' ' HB2' ' A' ' 70' ' ' ARG . . . -151.2 156.82 41.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.423 1.077 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 137' ' ' GLU . 13.2 tp -122.58 130.39 52.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.595 HD13 ' HA ' ' A' ' 137' ' ' GLU . 30.5 mm -110.48 146.89 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ASN . . . . . 0.52 HD22 HG13 ' A' ' 138' ' ' VAL . 11.7 p30 -100.34 -166.43 1.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.454 ' OG ' ' N ' ' A' ' 134' ' ' THR . 6.8 p -36.42 -63.61 0.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.988 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.507 HG22 ' OD1' ' A' ' 132' ' ' ASN . 7.4 t -81.54 162.21 23.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.379 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -67.39 64.84 0.26 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 110.967 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -140.09 138.86 35.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 0.797 . . . . 0.0 110.307 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.595 ' HA ' HD13 ' A' ' 131' ' ' ILE . 0.5 OUTLIER -83.11 138.58 33.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 110.366 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.52 HG13 HD22 ' A' ' 132' ' ' ASN . 2.2 m -109.17 -31.34 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -146.81 158.47 43.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 22.0 ptm -143.55 147.73 34.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 111.026 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 21.7 ttm-85 -131.6 96.64 4.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.362 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -89.72 147.16 24.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.686 HD22 ' HB3' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -152.64 117.91 5.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 7.1 t -126.45 120.22 55.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 110.263 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.651 ' O ' ' CG ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.816 ' HB2' ' HG3' ' A' ' 141' ' ' ARG . . . -104.26 161.53 13.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.64 109.75 2.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.413 HG21 ' HB2' ' A' ' 41' ' ' ALA . 0.9 OUTLIER -90.5 145.77 24.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.428 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.2 OUTLIER -156.22 81.43 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.976 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 163.09 -136.98 4.55 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.433 1.083 . . . . 0.0 111.035 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.449 ' CB ' ' HB3' ' A' ' 58' ' ' SER . 8.8 mtm180 -102.81 -36.95 8.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 0.767 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.536 HG12 ' N ' ' A' ' 41' ' ' ALA . 81.4 t -94.87 167.4 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 109.344 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.536 ' N ' HG12 ' A' ' 40' ' ' VAL . . . -154.38 132.35 11.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.578 ' CG1' HG23 ' A' ' 45' ' ' VAL . 58.2 t -59.46 86.94 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 41' ' ' ALA . 4.3 tm-20 -39.81 -59.87 1.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.327 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -169.27 129.62 1.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.323 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.816 HG22 HG13 ' A' ' 52' ' ' VAL . 14.4 t -118.16 111.31 33.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -51.51 111.92 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.333 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.942 ' HB3' HD22 ' A' ' 143' ' ' LEU . 4.5 pt-20 -53.43 -37.01 62.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -54.56 -30.07 53.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.336 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.39 40.32 5.76 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.459 1.099 . . . . 0.0 111.012 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -94.58 -50.13 5.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 0.784 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.571 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 25.2 p90 -149.56 158.76 44.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.816 HG13 HG22 ' A' ' 45' ' ' VAL . 10.8 t -119.87 119.75 61.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.553 ' HG3' HG23 ' A' ' 96' ' ' THR . 0.0 OUTLIER -101.73 128.81 47.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.608 HD11 HD13 ' A' ' 69' ' ' ILE . 13.1 mt -128.45 127.98 43.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.8 ttp180 -121.32 148.87 43.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.318 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -92.33 140.18 29.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.36 -34.13 8.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.449 ' HB3' ' CB ' ' A' ' 39' ' ' ARG . 2.3 p -61.89 166.53 4.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.985 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -102.39 -3.5 26.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -108.19 128.9 55.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -43.84 127.31 5.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.284 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 50.8 tp60 -101.69 117.65 35.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.1 t -79.88 125.17 29.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 110.001 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 52.8 mtp -115.54 38.84 3.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 111.041 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.544 ' CA ' ' HA ' ' A' ' 85' ' ' PRO . . . -82.13 54.29 4.84 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.464 1.103 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.3 OUTLIER 159.33 -28.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 0.785 . . . . 0.0 109.272 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 12.1 m0 -42.63 154.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 107.966 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.413 ' O ' HD12 ' A' ' 130' ' ' LEU . 1.6 mp0 -138.4 172.42 12.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 1.142 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 2.0 mt -134.75 120.82 32.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 109.315 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 40.6 mtt-85 -95.19 135.44 36.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.53 ' O ' HD12 ' A' ' 78' ' ' LEU . 0.3 OUTLIER -138.6 122.47 17.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 110.283 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.591 ' HB2' HD13 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -135.14 110.64 9.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.366 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.449 ' N ' ' OD1' ' A' ' 73' ' ' ASN . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.591 HD13 ' HB2' ' A' ' 72' ' ' GLN . 11.9 tp . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -108.23 134.62 50.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 92.0 m -121.92 97.64 5.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 110.385 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -78.31 105.09 9.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.39 113.04 24.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 1.142 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 33.8 m-85 -58.08 165.36 2.71 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.962 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.456 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.3 Cg_endo -74.96 147.05 33.58 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.521 1.801 . . . . 0.0 111.03 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.544 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.1 Cg_endo -75.03 18.64 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.507 1.793 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.456 ' H ' ' C ' ' A' ' 84' ' ' PRO . 1.0 OUTLIER -135.64 37.89 2.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -128.75 139.48 52.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.989 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.75 116.56 10.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.422 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 32.7 tp -86.23 98.11 10.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.289 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -47.4 171.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -82.31 138.43 34.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 71.24 4.13 55.24 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.507 1.129 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -90.64 171.32 9.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 0.797 . . . . 0.0 110.287 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.4 p -141.62 155.32 20.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 110' ' ' THR . 3.6 p -142.16 141.12 29.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.553 HG23 ' HG3' ' A' ' 53' ' ' ARG . 3.4 m -117.61 130.23 56.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 110.41 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.441 ' N ' HD12 ' A' ' 97' ' ' ILE . 5.4 mp -115.33 87.15 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.619 ' CB ' ' CB ' ' A' ' 104' ' ' ALA . 41.8 m95 -68.62 162.85 25.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 107.974 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 100' ' ' SER . . . -106.97 140.51 39.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 99' ' ' ALA . 6.0 t -38.69 -43.36 0.89 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.09 . . . . 0.0 110.004 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -49.1 -64.41 3.33 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.54 1.15 . . . . 0.0 111.007 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.29 162.56 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -94.81 43.99 2.25 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.619 ' CB ' ' CB ' ' A' ' 98' ' ' TRP . . . -72.95 -170.29 0.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 0.766 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.1 m -145.46 125.08 13.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.15 . . . . 0.0 110.395 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.48 ' NE2' ' HG3' ' A' ' 108' ' ' PRO . 20.2 t60 -60.24 95.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.596 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -131.55 65.63 76.44 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 110.02 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.566 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.2 Cg_endo -75.01 170.0 21.39 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.572 1.827 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.566 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.2 Cg_endo -75.0 -13.65 23.5 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.969 -2.513 . . . . 0.0 110.996 -0.003 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.472 ' O ' HG23 ' A' ' 95' ' ' VAL . 36.5 p -55.89 -84.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.41 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -80.32 146.69 31.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.509 HD21 ' HB3' ' A' ' 108' ' ' PRO . 16.3 mt -141.25 160.09 40.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 64.7 t -129.86 124.59 59.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.523 ' NE1' ' HB3' ' A' ' 116' ' ' ALA . 7.2 t90 -87.41 99.42 11.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 107.985 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.48 -43.79 18.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.523 ' HB3' ' NE1' ' A' ' 114' ' ' TRP . . . -43.46 -41.97 4.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.516 ' HB2' ' CD2' ' A' ' 114' ' ' TRP . 1.6 mm-40 -104.39 170.48 7.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -113.99 -12.54 12.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 7.8 t -173.3 148.13 1.6 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.38 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 58.8 m95 -70.11 -35.45 74.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 107.98 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLY . . . . . 0.423 ' C ' ' ND2' ' A' ' 73' ' ' ASN . . . 127.33 137.33 4.48 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 1.6 p -119.05 -173.47 2.5 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 119.87 170.22 14.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.483 1.115 . . . . 0.0 111.01 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 90.1 p -66.28 -56.83 9.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 110.023 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.675 ' HA ' HG13 ' A' ' 144' ' ' VAL . 24.0 m -84.97 122.5 29.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.031 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.444 HD22 HD22 ' A' ' 73' ' ' ASN . 0.5 OUTLIER -139.75 154.28 47.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -160.19 128.56 4.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.411 ' OG1' ' NH1' ' A' ' 71' ' ' ARG . 13.6 m -123.38 155.91 36.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.393 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -150.63 158.23 43.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' ' 68' ' ' GLN . 13.7 tp -123.77 130.73 53.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.57 HD13 ' HA ' ' A' ' 137' ' ' GLU . 29.8 mm -110.99 146.97 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 133' ' ' SER . 7.0 p30 -101.15 -171.19 1.95 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.253 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 132' ' ' ASN . 4.1 p -36.29 -55.43 0.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.001 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 136' ' ' GLU . 60.9 p -83.02 159.42 22.18 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.548 1.155 . . . . 0.0 110.386 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -68.55 59.4 0.46 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' GLU . . . . . 0.499 ' O ' HG23 ' A' ' 131' ' ' ILE . 13.6 tt0 -138.1 146.94 43.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 110.32 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.57 ' HA ' HD13 ' A' ' 131' ' ' ILE . 2.6 tm-20 -88.24 144.11 26.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 37' ' ' SER . 2.8 m -111.74 -35.04 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -147.0 158.96 44.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' MET . . . . . 0.437 ' HB2' ' HE2' ' A' ' 140' ' ' MET . 4.9 ppp? -142.12 153.53 44.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.816 ' HG3' ' HB2' ' A' ' 34' ' ' ALA . 10.1 ttt85 -140.26 95.7 2.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 142' ' ' LYS . . . . . 0.436 ' HB3' ' ND1' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -84.96 148.82 26.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.436 1.085 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.942 HD22 ' HB3' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -156.38 98.99 1.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 109.28 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.675 HG13 ' HA ' ' A' ' 125' ' ' SER . 33.8 t -122.71 130.08 74.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.973 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.403 ' HB2' ' HG3' ' A' ' 141' ' ' ARG . . . -90.67 160.27 15.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 109.345 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.92 103.07 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.269 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -87.51 147.27 25.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.42 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 138' ' ' VAL . 30.1 m -156.31 81.89 0.98 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 109.998 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 161.14 -138.31 5.39 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.452 1.095 . . . . 0.0 110.961 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.411 ' CB ' ' HB3' ' A' ' 58' ' ' SER . 8.2 mtm180 -103.7 -36.23 7.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 0.74 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 63.5 t -95.1 157.02 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -144.71 137.43 26.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.538 ' CG1' HG23 ' A' ' 45' ' ' VAL . 60.9 t -65.73 86.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 42' ' ' VAL . 7.0 tm-20 -37.82 -65.05 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -162.47 133.21 4.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.769 HG22 HG13 ' A' ' 52' ' ' VAL . 7.9 t -122.16 116.59 49.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -59.06 112.64 1.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.822 ' HB3' HD22 ' A' ' 143' ' ' LEU . 6.5 pt-20 -59.22 -29.07 67.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -63.44 -22.57 66.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 110.301 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.57 69.21 1.4 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.09 -51.73 1.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 0.789 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.57 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 35.4 p90 -148.37 155.67 41.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.769 HG13 HG22 ' A' ' 45' ' ' VAL . 37.6 t -119.82 116.18 49.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.507 ' CG ' HG23 ' A' ' 96' ' ' THR . 0.0 OUTLIER -98.5 122.17 41.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.29 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.587 HD11 HD13 ' A' ' 69' ' ' ILE . 11.0 mt -121.08 128.76 52.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -122.47 148.75 44.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.296 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 39.6 t-20 -92.68 150.23 20.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.23 -34.55 5.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.526 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 5.6 p -62.7 167.55 4.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 110.01 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.536 ' HA ' ' HB1' ' A' ' 91' ' ' ALA . 3.0 p30 -101.35 -11.61 19.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -96.57 119.28 34.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 110.306 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -40.89 123.77 2.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -90.41 138.52 31.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.261 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.9 m -103.57 114.81 29.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.996 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.52 ' HA ' ' CD1' ' A' ' 67' ' ' TRP . 9.1 mtp -105.96 45.11 0.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -87.17 54.7 4.54 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.512 1.133 . . . . 0.0 111.039 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.512 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 1.2 m-20 154.9 -23.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 0.779 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.52 ' CD1' ' HA ' ' A' ' 64' ' ' MET . 11.3 m0 -45.66 166.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 108.032 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -149.3 168.53 23.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.911 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 2.2 mt -130.65 114.86 29.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 129' ' ' ALA . 55.6 mtt-85 -90.84 128.63 36.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.25 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.413 ' HB3' ' CG ' ' A' ' 79' ' ' MET . 0.1 OUTLIER -133.9 109.39 9.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.48 ' HB2' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -117.47 129.68 55.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.236 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.4 ' ND2' ' C ' ' A' ' 121' ' ' GLY . 1.2 m-20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.48 HD13 ' HB2' ' A' ' 72' ' ' GLN . 15.7 tp . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.429 ' N ' HD12 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -119.09 146.69 44.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.581 1.176 . . . . 0.0 110.982 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 50.9 m -132.78 99.68 4.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.369 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.42 ' CD1' HD12 ' A' ' 69' ' ' ILE . 55.2 t80 -77.57 99.13 5.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 111.036 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -83.97 121.39 27.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.911 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 28.9 m-85 -68.67 164.83 41.86 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.491 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.2 Cg_endo -75.07 145.1 30.81 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.429 1.752 . . . . 0.0 110.947 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.483 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.4 Cg_endo -74.98 34.69 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.532 1.806 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.491 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.0 OUTLIER -152.19 26.8 0.61 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -114.22 138.71 50.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.32 116.92 11.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.395 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 56.3 tp -89.61 98.84 12.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.563 1.164 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.48 167.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.352 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.536 ' HB1' ' HA ' ' A' ' 59' ' ' ASN . . . -76.91 136.93 38.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.23 6.41 64.96 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -90.2 173.38 8.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 0.756 . . . . 0.0 110.286 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 11.9 p -143.31 157.88 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 1.1 p -145.07 140.42 22.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.507 HG23 ' CG ' ' A' ' 53' ' ' ARG . 1.4 m -113.75 132.14 55.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.463 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.55 HD12 ' O ' ' A' ' 52' ' ' VAL . 4.3 mp -117.05 83.6 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.634 ' CG ' ' CB ' ' A' ' 104' ' ' ALA . 42.4 m95 -70.36 164.31 24.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 108.034 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -109.31 136.93 47.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.5 t -39.62 -31.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.028 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 118' ' ' ASN . . . -97.1 59.3 1.16 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.466 1.103 . . . . 0.0 111.021 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -143.52 -47.39 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.788 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 109.96 9.54 24.2 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.634 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -65.21 -170.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 0.792 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -137.64 122.59 18.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.394 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.468 ' NE2' ' HG3' ' A' ' 108' ' ' PRO . 19.0 t60 -57.58 93.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.585 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 111' ' ' ASP . 0.5 OUTLIER -128.78 68.68 79.3 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 110.014 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.564 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.3 Cg_endo -74.94 169.66 22.12 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.564 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -75.02 -11.01 24.33 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 121.039 -2.484 . . . . 0.0 110.995 0.007 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 41.8 p -60.35 -90.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.396 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 107' ' ' SER . 18.9 m-20 -72.64 142.59 48.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.563 HD21 ' HB3' ' A' ' 108' ' ' PRO . 15.2 mt -138.88 165.4 27.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 72.6 t -135.04 123.56 40.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.251 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.777 ' HE1' ' HB3' ' A' ' 116' ' ' ALA . 5.9 t90 -85.87 101.41 12.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 107.991 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.83 -39.77 29.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.777 ' HB3' ' HE1' ' A' ' 114' ' ' TRP . . . -52.24 -32.75 38.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.158 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.428 ' HB2' ' CD2' ' A' ' 114' ' ' TRP . 29.2 mm100 -119.62 169.7 9.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.422 ' O ' ' N ' ' A' ' 101' ' ' GLY . 1.1 m120 -114.1 -26.71 7.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 10.0 t -152.45 146.15 25.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.16 . . . . 0.0 110.425 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.573 ' CE2' ' CG2' ' A' ' 52' ' ' VAL . 53.2 m95 -67.05 -15.13 63.53 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' GLY . . . . . 0.4 ' C ' ' ND2' ' A' ' 73' ' ' ASN . . . 106.4 161.01 22.36 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.458 1.099 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.476 ' HA ' ' CD2' ' A' ' 126' ' ' LEU . 0.9 OUTLIER -161.88 176.58 10.68 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 125' ' ' SER . . . 138.45 44.06 0.08 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 68.18 -64.01 0.31 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 0.769 . . . . 0.0 109.952 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.515 ' O ' HD23 ' A' ' 126' ' ' LEU . 25.3 p -84.72 133.35 34.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.105 . . . . 0.0 110.013 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.515 HD23 ' O ' ' A' ' 125' ' ' SER . 0.5 OUTLIER -144.54 155.67 43.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -156.11 100.56 2.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.283 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 29.6 m -98.06 163.53 12.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.425 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -164.42 152.56 12.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.456 HD23 HG23 ' A' ' 138' ' ' VAL . 14.2 tp -117.85 130.54 56.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.7 HD13 ' HA ' ' A' ' 137' ' ' GLU . 19.2 mm -116.46 146.49 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ASN . . . . . 0.409 ' ND2' ' O ' ' A' ' 136' ' ' GLU . 7.8 p30 -92.83 -171.7 2.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.446 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . 1.4 t -44.83 -41.7 7.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.052 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 136' ' ' GLU . 5.5 p -91.95 159.05 15.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.416 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -67.4 62.51 0.26 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.51 1.131 . . . . 0.0 111.031 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' GLU . . . . . 0.464 ' O ' HG23 ' A' ' 131' ' ' ILE . 18.2 tt0 -143.08 135.78 27.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 0.76 . . . . 0.0 110.33 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.7 ' HA ' HD13 ' A' ' 131' ' ' ILE . 4.0 tt0 -82.96 145.82 29.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 37' ' ' SER . 1.7 m -113.14 -35.32 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -144.08 157.88 44.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 17.3 ptm -142.84 143.74 32.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.468 ' HD2' ' CG1' ' A' ' 42' ' ' VAL . 7.8 ttt85 -131.05 82.57 2.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 142' ' ' LYS . . . . . 0.438 ' HE2' ' CG2' ' A' ' 144' ' ' VAL . 32.1 tttt -78.82 147.68 33.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.822 HD22 ' HB3' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -149.97 116.66 5.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.438 ' CG2' ' HE2' ' A' ' 142' ' ' LYS . 32.3 t -122.22 124.35 70.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.949 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.64 ' HB2' ' HG3' ' A' ' 141' ' ' ARG . . . -101.29 157.09 17.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -151.59 112.61 4.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -86.1 147.52 26.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.435 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.2 OUTLIER -155.94 81.78 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.989 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 156.81 -134.96 4.23 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.143 . . . . 0.0 111.038 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.6 mtm-85 -105.53 -41.88 5.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 0.746 . . . . 0.0 110.292 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.466 HG23 ' HG2' ' A' ' 62' ' ' GLN . 89.6 t -93.16 147.41 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -134.26 139.5 45.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.269 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.571 ' CG1' HG23 ' A' ' 45' ' ' VAL . 44.9 t -66.89 87.46 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 42' ' ' VAL . 7.5 tp10 -37.67 -72.81 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 110.308 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -153.8 132.61 12.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.82 HG22 HG13 ' A' ' 52' ' ' VAL . 9.6 t -119.51 103.78 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -42.41 112.34 0.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.556 ' O ' HD13 ' A' ' 126' ' ' LEU . 5.0 pt-20 -58.44 -35.51 72.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.258 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -61.26 -25.06 66.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.289 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.09 71.53 1.3 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -127.17 -45.26 1.55 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 0.754 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.522 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 35.2 p90 -155.46 155.34 33.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 111.038 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.82 HG13 HG22 ' A' ' 45' ' ' VAL . 26.0 t -118.89 113.02 40.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.58 ' HG3' HG23 ' A' ' 96' ' ' THR . 0.0 OUTLIER -98.4 124.27 42.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.279 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.799 HD11 ' CD1' ' A' ' 69' ' ' ILE . 10.8 mt -120.11 133.75 55.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.56 147.43 49.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.439 ' OD1' ' N ' ' A' ' 57' ' ' LYS . 52.7 t-20 -90.55 147.97 23.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.439 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 4.7 mmtp -112.51 -33.45 6.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.326 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.5 t -61.57 165.65 4.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 110.013 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.462 ' C ' ' CB ' ' A' ' 91' ' ' ALA . 8.4 p30 -97.0 -18.27 19.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -93.65 128.73 39.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 110.269 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.51 132.57 6.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.466 ' HG2' HG23 ' A' ' 40' ' ' VAL . 8.8 tp-100 -101.75 134.84 44.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.332 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.0 t -99.33 126.3 45.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.099 . . . . 0.0 110.006 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.489 ' HA ' ' CD1' ' A' ' 67' ' ' TRP . 13.2 mtp -119.57 43.58 2.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.502 ' CA ' ' HA ' ' A' ' 85' ' ' PRO . . . -85.13 54.65 4.91 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.505 1.128 . . . . 0.0 110.944 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.479 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 1.0 OUTLIER 157.51 -25.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 0.729 . . . . 0.0 109.261 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.489 ' CD1' ' HA ' ' A' ' 64' ' ' MET . 12.6 m0 -43.07 163.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 108.022 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -149.88 169.36 21.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.282 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.799 ' CD1' HD11 ' A' ' 54' ' ' LEU . 11.5 mt -130.07 115.17 31.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 57.3 mtt-85 -86.31 131.1 34.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.323 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.409 ' O ' ' HA ' ' A' ' 78' ' ' LEU . 4.1 tpt180 -126.92 104.65 8.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.461 ' HB2' HD13 ' A' ' 78' ' ' LEU . 0.7 OUTLIER -123.65 93.51 3.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.323 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.495 ' HB2' HD23 ' A' ' 126' ' ' LEU . 8.6 p30 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.461 HD13 ' HB2' ' A' ' 72' ' ' GLN . 2.9 tp . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -105.52 134.31 48.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.6 m -115.38 94.16 4.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.368 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.479 ' CE2' HG21 ' A' ' 97' ' ' ILE . 63.6 t80 -74.23 95.2 2.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.5 ttt180 -80.27 121.2 25.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.539 ' CE2' HD11 ' A' ' 69' ' ' ILE . 19.7 m-85 -66.33 166.7 15.66 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.511 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.4 Cg_endo -75.0 144.97 30.86 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.535 1.808 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.502 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.2 Cg_endo -75.03 25.79 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.499 1.789 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.511 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.0 OUTLIER -144.3 35.0 1.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.147 . . . . 0.0 109.317 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.426 ' CZ ' HG21 ' A' ' 95' ' ' VAL . 18.6 t80 -120.57 130.87 54.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.416 HG22 ' O ' ' A' ' 88' ' ' THR . 0.8 OUTLIER -130.21 108.0 9.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.373 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 62' ' ' GLN . 54.0 tp -82.21 94.71 7.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 89' ' ' LEU . 38.5 mtmt -47.44 173.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.462 ' CB ' ' C ' ' A' ' 59' ' ' ASN . . . -85.01 132.5 34.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.26 9.67 86.68 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.506 1.129 . . . . 0.0 110.953 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -94.95 175.16 6.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 0.748 . . . . 0.0 110.323 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.9 p -144.39 160.17 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 110' ' ' THR . 6.5 p -147.95 147.12 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.58 HG23 ' HG3' ' A' ' 53' ' ' ARG . 9.2 m -120.66 131.95 54.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.469 1.105 . . . . 0.0 110.4 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.526 HD12 ' O ' ' A' ' 52' ' ' VAL . 4.1 mp -117.48 81.98 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.522 ' CE3' ' HB3' ' A' ' 51' ' ' PHE . 37.4 m95 -66.94 166.62 13.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 107.975 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.538 ' O ' ' HB3' ' A' ' 102' ' ' ALA . . . -111.22 142.94 42.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 99' ' ' ALA . 4.2 t -37.43 -59.04 0.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.987 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 118' ' ' ASN . . . -47.09 -48.77 19.41 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 99' ' ' ALA . . . -41.79 -43.69 3.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 0.763 . . . . 0.0 109.281 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 76.19 23.84 70.26 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.534 1.146 . . . . 0.0 111.02 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.61 -159.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 0.786 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -126.95 116.94 21.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.388 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.472 ' CE1' HD23 ' A' ' 112' ' ' LEU . 10.0 t60 -58.83 111.57 1.33 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.625 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.481 ' CB ' ' HB2' ' A' ' 111' ' ' ASP . 0.4 OUTLIER -141.48 68.18 25.53 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.026 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.53 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.4 Cg_endo -75.01 169.16 23.24 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.525 1.802 . . . . 0.0 111.001 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.53 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.5 Cg_endo -74.95 -10.62 24.07 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 121.034 -2.486 . . . . 0.0 111.027 0.006 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.675 ' O ' HG23 ' A' ' 95' ' ' VAL . 33.3 p -60.87 -88.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.373 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.481 ' HB2' ' CB ' ' A' ' 107' ' ' SER . 13.8 m-20 -67.39 144.38 55.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.33 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.476 ' CD2' ' HB3' ' A' ' 108' ' ' PRO . 26.7 mt -141.81 151.2 42.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 47.1 t -122.21 119.51 58.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.51 ' CD2' ' HB2' ' A' ' 117' ' ' GLN . 5.1 t90 -80.23 99.17 7.69 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.14 -43.88 18.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -45.64 -51.91 11.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.51 ' HB2' ' CD2' ' A' ' 114' ' ' TRP . 0.9 OUTLIER -90.67 176.4 6.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.403 ' O ' ' N ' ' A' ' 101' ' ' GLY . 3.5 p30 -116.01 -31.91 5.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 13.1 t -160.44 128.51 4.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.379 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.421 ' CD1' ' HB2' ' A' ' 99' ' ' ALA . 54.3 m95 -45.55 -42.18 10.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 108.027 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 135.84 133.3 3.21 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.13 . . . . 0.0 111.049 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 4.0 p -113.41 -172.18 2.02 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 126.99 -156.65 20.34 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.2 p -108.62 -32.05 7.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 0.785 . . . . 0.0 110.029 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 32.9 p -113.15 119.44 37.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.98 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.556 HD13 ' O ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -135.52 150.61 49.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -150.45 108.4 3.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 110.33 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 5.7 m -108.49 141.7 39.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.418 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -137.66 145.27 42.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.532 HD23 HG23 ' A' ' 138' ' ' VAL . 14.9 tp -103.96 131.57 51.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.748 HD13 ' HA ' ' A' ' 137' ' ' GLU . 24.2 mm -117.3 146.28 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ASN . . . . . 0.536 HD22 HG13 ' A' ' 138' ' ' VAL . 9.9 p30 -97.71 -170.94 2.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 132' ' ' ASN . 0.4 OUTLIER -36.73 -59.64 0.66 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 136' ' ' GLU . 51.8 p -79.49 160.24 26.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -68.19 60.96 0.4 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.469 1.105 . . . . 0.0 110.963 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' GLU . . . . . 0.492 ' O ' HG23 ' A' ' 131' ' ' ILE . 15.0 tt0 -137.11 138.56 40.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 0.787 . . . . 0.0 110.29 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.748 ' HA ' HD13 ' A' ' 131' ' ' ILE . 4.0 tm-20 -84.54 142.98 29.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.536 HG13 HD22 ' A' ' 132' ' ' ASN . 2.9 m -112.81 -36.78 2.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -141.03 161.53 37.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 17.1 ptm -143.46 157.54 44.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.64 ' HG3' ' HB2' ' A' ' 34' ' ' ALA . 4.8 ttm-85 -147.49 87.38 1.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.334 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' LYS . . . . . 0.45 ' O ' HD22 ' A' ' 143' ' ' LEU . 36.3 tttt -85.02 125.88 33.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.45 HD22 ' O ' ' A' ' 142' ' ' LYS . 1.3 mm? -123.02 116.21 23.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 2.9 t -121.23 132.56 70.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 -179.996 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.665 ' HB2' ' HG3' ' A' ' 141' ' ' ARG . . . -102.47 166.36 10.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.33 108.97 1.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.27 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.99 147.76 26.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.384 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 138' ' ' VAL . 4.8 m -156.44 81.94 0.97 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.102 . . . . 0.0 109.986 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 157.08 -138.66 6.0 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.491 1.119 . . . . 0.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.456 ' CG ' ' HB3' ' A' ' 58' ' ' SER . 7.8 mtm180 -102.11 -39.08 7.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 0.77 . . . . 0.0 110.276 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 88.3 t -89.33 156.3 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.17 136.65 25.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.829 ' HA ' HD23 ' A' ' 54' ' ' LEU . 47.9 t -64.48 87.19 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -39.58 -59.61 1.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.285 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -170.88 135.46 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.822 HG22 HG13 ' A' ' 52' ' ' VAL . 10.5 t -122.12 116.95 50.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -50.73 108.09 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.48 ' O ' ' CD1' ' A' ' 126' ' ' LEU . 8.0 pt-20 -56.55 -31.23 63.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -67.03 -26.4 66.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.328 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.5 81.34 1.38 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.593 ' HD2' ' HB1' ' A' ' 102' ' ' ALA . 2.2 mmmt -139.71 -49.93 0.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.574 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 49.5 p90 -148.31 157.71 43.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.822 HG13 HG22 ' A' ' 45' ' ' VAL . 52.4 t -120.16 109.42 25.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.73 126.46 36.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.257 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.829 HD23 ' HA ' ' A' ' 42' ' ' VAL . 33.3 mt -125.32 125.44 43.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.513 ' CG ' HG22 ' A' ' 94' ' ' VAL . 25.7 ttp180 -119.83 146.54 45.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -89.63 145.89 24.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.85 -34.96 6.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.456 ' HB3' ' CG ' ' A' ' 39' ' ' ARG . 84.0 p -61.55 165.65 4.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 110.007 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.458 ' HA ' ' HB1' ' A' ' 91' ' ' ALA . 3.4 p30 -103.81 13.14 33.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -125.13 131.74 53.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -47.3 119.97 2.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 50.5 tp60 -94.28 114.2 26.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.343 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 89.8 p -71.34 121.77 19.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.019 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 43.8 mtp -115.14 46.03 1.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.516 ' CA ' ' HA ' ' A' ' 85' ' ' PRO . . . -91.81 55.35 3.0 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.479 1.112 . . . . 0.0 110.967 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.462 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER 159.46 -28.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 0.787 . . . . 0.0 109.275 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 11.2 m0 -43.98 161.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 108.029 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -146.05 169.91 17.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 1.09 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 4.7 mt -129.7 115.84 35.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.402 ' HB2' ' HB3' ' A' ' 129' ' ' ALA . 38.6 mtt-85 -89.6 139.56 30.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.421 ' NH1' ' HB3' ' A' ' 120' ' ' TRP . 0.4 OUTLIER -140.33 102.03 4.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 110.296 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.643 ' HB2' HD13 ' A' ' 78' ' ' LEU . 0.8 OUTLIER -114.46 105.92 13.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.16 . . . . 0.0 110.263 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.42 ' OD1' ' NE ' ' A' ' 71' ' ' ARG . 41.4 m-20 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.643 HD13 ' HB2' ' A' ' 72' ' ' GLN . 10.7 tp . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -112.16 155.86 23.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 17.8 m -140.64 98.59 3.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 110.425 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -77.33 98.76 5.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.967 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.4 ttp85 -83.47 113.76 21.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 1.09 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 37.5 m-85 -59.07 164.74 4.16 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.511 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.3 Cg_endo -75.0 145.89 31.99 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.493 1.786 . . . . 0.0 110.993 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.516 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.3 Cg_endo -75.02 25.45 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.478 1.778 . . . . 0.0 111.023 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.511 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.7 OUTLIER -144.18 38.76 1.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -128.45 135.12 49.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -134.6 111.13 9.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 90' ' ' LYS . 33.7 tp -81.93 96.8 7.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 89' ' ' LEU . 1.0 OUTLIER -47.82 173.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.458 ' HB1' ' HA ' ' A' ' 59' ' ' ASN . . . -81.22 139.77 35.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 67.54 7.99 49.57 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -87.65 175.6 7.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 0.76 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.513 HG22 ' CG ' ' A' ' 55' ' ' ARG . 19.6 t -147.59 145.76 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.6 p -133.57 138.39 51.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 112' ' ' LEU . 2.0 m -111.67 126.22 54.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 110.414 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.462 ' N ' HD12 ' A' ' 97' ' ' ILE . 4.8 mp -111.64 85.84 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.574 ' CE3' ' HB3' ' A' ' 51' ' ' PHE . 53.0 m95 -71.22 165.9 22.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 107.996 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 100' ' ' SER . . . -106.69 141.17 38.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.103 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 99' ' ' ALA . 4.4 t -37.09 -46.2 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.002 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -99.98 75.13 0.46 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.518 1.136 . . . . 0.0 111.033 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.593 ' HB1' ' HD2' ' A' ' 50' ' ' LYS . . . -161.08 27.96 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 0.746 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 102' ' ' ALA . . . 35.04 52.32 0.87 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.482 1.114 . . . . 0.0 110.97 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.461 ' CB ' ' CB ' ' A' ' 98' ' ' TRP . . . -99.81 -158.47 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 0.79 . . . . 0.0 109.353 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.3 m -158.42 122.1 3.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.43 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.505 ' NE2' ' HG3' ' A' ' 108' ' ' PRO . 21.3 t60 -62.81 94.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.157 . . . . 0.0 109.626 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.04 65.5 75.53 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.032 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.579 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.3 Cg_endo -74.99 170.55 20.18 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.531 1.806 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.579 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -75.01 -13.05 23.86 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 120.998 -2.501 . . . . 0.0 110.979 -0.004 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 71.7 p -57.0 -85.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.41 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -79.05 145.01 34.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.52 HD21 ' HB3' ' A' ' 108' ' ' PRO . 16.1 mt -139.28 161.86 36.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 54.6 t -128.17 121.6 56.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.651 ' NE1' ' HB3' ' A' ' 116' ' ' ALA . 6.5 t90 -81.55 100.29 9.29 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -79.67 -42.28 25.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.651 ' HB3' ' NE1' ' A' ' 114' ' ' TRP . . . -45.88 -53.46 9.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.521 ' HB2' ' CE2' ' A' ' 114' ' ' TRP . 0.3 OUTLIER -97.55 175.86 6.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.419 ' HA ' ' HB3' ' A' ' 100' ' ' SER . 7.7 p-10 -113.2 -24.45 9.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 14.9 t -162.34 149.29 13.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.374 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.591 ' CE2' ' CG2' ' A' ' 52' ' ' VAL . 60.7 m95 -66.0 -33.25 75.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 107.972 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 126.05 138.67 4.93 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 8.9 p -122.64 -170.78 2.15 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 132.72 -121.03 2.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 58.2 p -137.71 -50.24 0.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 110.007 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 71.0 m -107.73 110.27 22.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.018 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.48 ' CD1' ' O ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -122.7 155.42 36.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.257 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -143.89 116.75 8.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 110.332 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 15.3 m -108.09 151.61 25.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.103 . . . . 0.0 110.411 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.402 ' HB3' ' HB2' ' A' ' 70' ' ' ARG . . . -150.33 152.09 33.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.364 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.461 HD23 HG23 ' A' ' 138' ' ' VAL . 14.0 tp -118.69 130.42 55.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.54 HG23 ' O ' ' A' ' 136' ' ' GLU . 19.0 mm -111.9 146.77 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ASN . . . . . 0.455 ' O ' ' C ' ' A' ' 133' ' ' SER . 2.3 p-10 -100.88 -175.11 2.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 132' ' ' ASN . 1.1 p -34.12 -53.27 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.007 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.451 ' OG1' ' ND2' ' A' ' 132' ' ' ASN . 43.0 p -85.22 158.72 20.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.431 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -67.83 61.99 0.33 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.549 1.156 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' GLU . . . . . 0.54 ' O ' HG23 ' A' ' 131' ' ' ILE . 16.7 tt0 -139.07 147.48 42.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 0.789 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.444 ' HA ' HD13 ' A' ' 131' ' ' ILE . 1.1 tt0 -91.0 141.37 28.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.33 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.472 ' O ' ' N ' ' A' ' 37' ' ' SER . 1.9 m -108.95 -34.79 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.274 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -150.83 157.56 43.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 14.5 ptm -144.26 150.48 37.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.665 ' HG3' ' HB2' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -134.94 97.5 3.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 39.8 tttt -92.66 120.81 33.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.352 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.432 HD23 ' HG2' ' A' ' 141' ' ' ARG . 1.0 OUTLIER -115.02 109.27 17.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 3.0 t -111.11 125.71 68.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.323 179.955 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 1.146 ' CE1' HG23 ' A' ' 144' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.496 ' CB ' ' HA ' ' A' ' 141' ' ' ARG . . . -109.24 158.68 17.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.087 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.22 110.04 4.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.415 HG21 ' HB2' ' A' ' 41' ' ' ALA . 0.9 OUTLIER -89.58 147.55 23.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 110.379 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 138' ' ' VAL . 4.9 m -156.0 82.27 1.01 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.138 . . . . 0.0 110.01 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 162.34 -142.04 7.66 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.517 1.136 . . . . 0.0 110.99 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.476 ' CB ' ' HB2' ' A' ' 58' ' ' SER . 9.8 mtm180 -99.01 -34.07 10.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.778 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.571 HG23 ' HG2' ' A' ' 62' ' ' GLN . 96.4 t -97.43 167.71 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.542 ' N ' HG12 ' A' ' 40' ' ' VAL . . . -152.22 142.09 22.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.761 ' HA ' HD23 ' A' ' 54' ' ' LEU . 58.8 t -68.99 86.52 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 42' ' ' VAL . 0.1 OUTLIER -38.79 -66.23 0.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.34 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -161.78 129.71 4.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.753 HG22 HG13 ' A' ' 52' ' ' VAL . 8.2 t -116.52 104.76 17.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -43.61 113.22 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.262 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.453 ' O ' ' CD1' ' A' ' 126' ' ' LEU . 5.0 pt-20 -56.32 -36.93 69.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.3 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -58.37 -23.02 55.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.49 62.87 1.83 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.531 1.144 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.1 mtmm -117.52 -49.67 2.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 0.745 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.461 ' CB ' ' HA ' ' A' ' 98' ' ' TRP . 44.7 p90 -148.6 158.72 44.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.753 HG13 HG22 ' A' ' 45' ' ' VAL . 24.6 t -121.05 113.72 40.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -96.45 123.19 40.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 0.0 110.277 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.761 HD23 ' HA ' ' A' ' 42' ' ' VAL . 23.4 mt -117.51 127.67 54.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.4 ' CB ' ' HB2' ' A' ' 43' ' ' GLU . 27.2 ttp180 -118.45 148.97 42.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 58' ' ' SER . 41.2 t-20 -96.57 133.93 40.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -104.33 -27.52 11.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.344 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.674 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 13.1 t -64.33 163.26 13.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.972 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.427 ' C ' ' CB ' ' A' ' 91' ' ' ALA . 17.4 t-20 -96.16 -19.13 19.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.419 ' CG ' ' HD3' ' A' ' 39' ' ' ARG . 2.2 pt-20 -96.56 123.24 40.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -40.08 128.78 2.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.571 ' HG2' HG23 ' A' ' 40' ' ' VAL . 39.1 tp60 -96.12 124.27 40.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.327 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.414 ' N ' ' NE2' ' A' ' 62' ' ' GLN . 2.4 m -89.59 110.03 20.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 15.1 mtp -105.02 41.67 1.31 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.464 1.103 . . . . 0.0 111.005 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.54 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -83.56 58.89 5.01 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.54 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 1.2 m120 153.54 -27.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 0.0 109.318 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.563 ' CG ' ' HA ' ' A' ' 132' ' ' ASN . 18.6 m0 -42.42 161.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 108.014 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -141.24 173.86 11.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.326 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 1.106 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 7.5 mt -134.66 117.58 23.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.724 ' HB2' ' HB3' ' A' ' 129' ' ' ALA . 35.0 mtt-85 -88.98 145.51 25.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.259 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.438 ' NH1' ' OG1' ' A' ' 128' ' ' THR . 0.1 OUTLIER -146.37 110.03 4.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.445 ' CG ' ' HG ' ' A' ' 78' ' ' LEU . 0.8 OUTLIER -124.79 104.58 8.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.122 . . . . 0.0 110.31 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.592 HD23 ' N ' ' A' ' 79' ' ' MET . 1.4 tt . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.592 ' N ' HD23 ' A' ' 78' ' ' LEU . 0.5 OUTLIER -121.7 155.96 34.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 91.3 m -140.84 103.32 4.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.405 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.434 ' CD1' HD12 ' A' ' 69' ' ' ILE . 39.2 t80 -82.12 104.58 12.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 34.8 ttp85 -86.73 121.48 29.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.267 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 1.106 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 29.1 m-85 -67.31 166.23 22.56 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 111.043 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.507 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.2 Cg_endo -75.02 145.41 31.34 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.485 1.782 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.448 ' HA ' ' C ' ' A' ' 65' ' ' GLY . 18.2 Cg_endo -75.03 29.3 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.55 1.816 . . . . 0.0 111.008 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.507 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.0 OUTLIER -148.59 38.26 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -127.63 129.5 47.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.976 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.1 m -129.76 114.3 15.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.38 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 62' ' ' GLN . 54.9 tp -85.98 95.32 9.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.137 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -47.31 166.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.674 ' HB1' ' O ' ' A' ' 58' ' ' SER . . . -78.6 134.02 37.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 78.31 4.56 86.97 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -89.51 176.02 7.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 0.766 . . . . 0.0 110.254 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 13.1 p -144.27 158.97 15.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 110' ' ' THR . 12.9 p -146.93 151.2 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.349 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 112' ' ' LEU . 21.0 m -126.54 126.71 44.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 110.433 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.549 ' N ' HD12 ' A' ' 97' ' ' ILE . 4.1 mp -113.4 82.92 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.603 ' CG ' ' CB ' ' A' ' 104' ' ' ALA . 42.0 m95 -66.39 162.17 21.0 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.455 ' HB2' ' CD1' ' A' ' 120' ' ' TRP . . . -104.73 141.08 37.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 99' ' ' ALA . 3.8 t -37.67 -56.6 1.04 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.983 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 118' ' ' ASN . . . -42.15 -59.97 2.81 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.03 152.65 2.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 0.79 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -89.12 39.47 3.12 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.475 1.109 . . . . 0.0 111.034 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.603 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -70.07 173.48 6.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 0.794 . . . . 0.0 109.245 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -126.44 115.92 20.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.378 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.501 ' CE1' HD23 ' A' ' 112' ' ' LEU . 13.7 t60 -54.63 110.26 0.62 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.123 . . . . 0.0 109.578 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.48 ' CB ' ' HB2' ' A' ' 111' ' ' ASP . 0.4 OUTLIER -143.06 68.86 18.09 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.548 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.3 Cg_endo -74.98 169.13 23.31 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.552 1.817 . . . . 0.0 110.964 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.548 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -75.03 -12.95 23.96 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 120.983 -2.507 . . . . 0.0 111.019 -0.002 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.64 ' O ' HG23 ' A' ' 95' ' ' VAL . 44.3 p -58.06 -82.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.408 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.512 ' N ' ' OG1' ' A' ' 110' ' ' THR . 74.3 m-20 -73.7 148.78 42.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.501 HD23 ' CE1' ' A' ' 106' ' ' HIS . 44.9 mt -145.72 151.36 37.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 57.3 t -123.95 121.43 62.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.609 ' NE1' ' HB3' ' A' ' 116' ' ' ALA . 7.8 t90 -82.77 97.53 8.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 108.02 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.4 mtpp -78.46 -44.43 24.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.609 ' HB3' ' NE1' ' A' ' 114' ' ' TRP . . . -40.57 -55.57 2.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.515 ' HB2' ' CE2' ' A' ' 114' ' ' TRP . 1.8 mm-40 -92.01 175.87 6.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 101' ' ' GLY . 3.8 p30 -114.41 -26.37 7.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 14.6 t -161.72 129.47 4.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.434 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.455 ' CD1' ' HB2' ' A' ' 99' ' ' ALA . 50.5 m95 -47.04 -45.6 21.55 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 132.99 143.59 5.06 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 2.6 p -119.34 -172.98 2.42 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 127.42 143.59 5.78 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 145' ' ' ARG . 14.0 p -45.07 -33.33 2.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 0.743 . . . . 0.0 110.01 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.536 ' OG ' HG13 ' A' ' 144' ' ' VAL . 1.6 m -120.19 131.45 55.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.942 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.453 ' CD1' ' O ' ' A' ' 47' ' ' GLU . 0.4 OUTLIER -132.53 148.38 52.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 3.5 ttt-85 -136.4 107.67 6.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.288 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.438 ' OG1' ' NH1' ' A' ' 71' ' ' ARG . 29.7 m -113.88 144.94 42.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.391 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.724 ' HB3' ' HB2' ' A' ' 70' ' ' ARG . . . -142.58 158.51 43.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.118 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.483 HD23 HG23 ' A' ' 138' ' ' VAL . 13.6 tp -121.72 129.1 52.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.651 HD13 ' HA ' ' A' ' 137' ' ' GLU . 24.5 mm -110.38 148.79 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ASN . . . . . 0.563 ' HA ' ' CG ' ' A' ' 67' ' ' TRP . 6.2 p30 -100.81 -173.33 2.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.49 ' N ' ' CD1' ' A' ' 67' ' ' TRP . 6.4 p -37.72 -46.38 0.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 109.98 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 136' ' ' GLU . 60.3 p -90.75 159.25 16.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 110.376 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -68.75 60.4 0.49 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.517 1.135 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' GLU . . . . . 0.465 ' O ' ' ND2' ' A' ' 132' ' ' ASN . 6.2 tt0 -140.96 139.49 34.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.651 ' HA ' HD13 ' A' ' 131' ' ' ILE . 22.2 tt0 -80.57 140.53 35.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 110.251 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.483 HG23 HD23 ' A' ' 130' ' ' LEU . 2.5 m -111.81 -30.11 2.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.25 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -150.29 160.47 43.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 25.3 ptm -147.8 155.08 41.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.496 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 30.3 ttm-85 -143.09 106.84 4.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' LYS . . . . . 0.624 ' HG2' ' CE1' ' A' ' 33' ' ' HIS . 17.5 tttt -98.59 133.56 42.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.569 HD22 ' O ' ' A' ' 142' ' ' LYS . 1.3 mm? -127.8 105.87 8.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 1.146 HG23 ' CE1' ' A' ' 33' ' ' HIS . 23.4 t -113.56 136.94 48.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 145' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 124' ' ' SER . 71.6 ttt180 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 46.6 m-70 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.481 ' CB ' ' HA ' ' A' ' 141' ' ' ARG . . . -102.18 160.19 14.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.53 108.34 2.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.359 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.3 149.34 26.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.393 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.5 OUTLIER -156.17 82.22 0.99 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 110.005 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 158.63 -140.41 6.91 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.458 ' CB ' ' HB3' ' A' ' 58' ' ' SER . 9.7 mtm180 -98.77 -39.42 8.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 0.787 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.518 HG12 ' N ' ' A' ' 41' ' ' ALA . 83.0 t -89.71 165.84 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.518 ' N ' HG12 ' A' ' 40' ' ' VAL . . . -152.45 132.6 13.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.428 ' CG1' ' HD2' ' A' ' 141' ' ' ARG . 92.1 t -61.14 89.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -42.72 -71.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 45' ' ' VAL . 1.4 tp10 -156.68 138.07 13.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.498 HG22 HG22 ' A' ' 52' ' ' VAL . 4.9 t -125.33 122.29 62.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.407 ' OD2' ' CE2' ' A' ' 51' ' ' PHE . 1.6 t0 -56.01 112.04 1.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.431 ' HB3' HD22 ' A' ' 143' ' ' LEU . 4.6 pt-20 -57.31 -21.76 37.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 110.305 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -73.94 -27.05 60.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.335 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.11 61.58 1.48 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.6 mtpt -119.07 -44.21 2.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.0 109.271 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.626 ' CD2' ' CZ3' ' A' ' 98' ' ' TRP . 28.6 p90 -151.29 160.42 43.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.533 ' O ' HD12 ' A' ' 97' ' ' ILE . 3.8 t -124.04 113.83 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.422 1.076 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.508 ' HG3' HG23 ' A' ' 96' ' ' THR . 0.0 OUTLIER -97.36 122.75 40.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.292 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.415 HD13 HD13 ' A' ' 130' ' ' LEU . 12.1 mt -121.4 130.52 53.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.103 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -121.71 148.48 44.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 -91.51 141.38 28.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -108.18 -29.12 9.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.564 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 93.6 p -64.96 152.27 43.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -87.44 -12.29 46.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.345 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -99.28 131.9 44.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -43.96 133.76 4.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.469 ' HG2' HG23 ' A' ' 40' ' ' VAL . 9.9 tp-100 -106.24 120.75 42.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.7 p -90.49 118.99 30.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.0 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.496 ' HA ' ' CD1' ' A' ' 67' ' ' TRP . 14.4 mtp -109.63 45.89 1.05 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.139 . . . . 0.0 110.959 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.518 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -86.7 56.75 4.69 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.518 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 1.2 m-20 154.54 -23.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.496 ' CD1' ' HA ' ' A' ' 64' ' ' MET . 12.3 m0 -44.79 165.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -149.51 172.5 14.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.351 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.94 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 9.0 mt -131.86 120.96 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.447 ' HB2' ' HB3' ' A' ' 129' ' ' ALA . 2.1 mtt-85 -97.37 119.98 36.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.329 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.498 ' CZ ' ' O ' ' A' ' 120' ' ' TRP . 15.7 tpt180 -126.6 118.29 24.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.936 ' HB2' HD13 ' A' ' 78' ' ' LEU . 14.6 tm0? -133.0 120.03 20.84 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.7 p30 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.157 . . . . 0.0 109.349 179.955 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.936 HD13 ' HB2' ' A' ' 72' ' ' GLN . 11.3 tp . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.414 ' CG ' ' HB3' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -108.8 148.13 31.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 110.973 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 14.2 m -132.54 104.97 6.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.379 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.647 ' CD2' HD12 ' A' ' 69' ' ' ILE . 46.5 t80 -87.71 99.97 12.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 111.038 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.2 ttp-105 -82.26 120.97 26.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.94 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 22.9 m-85 -65.14 166.8 11.62 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.969 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.42 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 18.3 Cg_endo -75.0 149.03 36.09 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.481 1.78 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.49 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.2 Cg_endo -74.98 4.13 5.0 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.479 1.779 . . . . 0.0 110.967 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.12 48.76 2.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -129.12 134.81 48.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.9 m -134.79 106.7 7.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.447 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.403 ' HB2' ' SD ' ' A' ' 64' ' ' MET . 55.8 tp -85.92 93.6 8.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -44.87 166.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.263 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.564 ' HB1' ' O ' ' A' ' 58' ' ' SER . . . -78.49 134.25 37.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.73 6.79 87.21 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.491 1.119 . . . . 0.0 111.045 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -92.59 169.78 10.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 110.303 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.5 p -140.32 158.42 25.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.5 p -147.66 145.23 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.508 HG23 ' HG3' ' A' ' 53' ' ' ARG . 13.7 m -118.36 127.54 53.78 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.108 . . . . 0.0 110.39 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.533 HD12 ' O ' ' A' ' 52' ' ' VAL . 4.1 mp -110.66 84.99 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.626 ' CZ3' ' CD2' ' A' ' 51' ' ' PHE . 27.0 m95 -71.89 165.22 24.59 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 101' ' ' GLY . . . -105.48 142.18 35.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 99' ' ' ALA . 13.4 t -38.47 -30.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.001 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 99' ' ' ALA . . . -112.22 65.27 0.26 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -147.91 23.92 1.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.775 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 39.6 38.4 1.03 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.141 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.461 ' CB ' ' CB ' ' A' ' 98' ' ' TRP . . . -91.74 -161.45 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.757 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -154.03 123.13 6.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.406 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.507 ' NE2' ' HG3' ' A' ' 108' ' ' PRO . 20.3 t60 -60.76 96.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.62 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.447 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 0.5 OUTLIER -133.83 62.48 58.31 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.014 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.584 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.4 Cg_endo -75.0 170.77 19.7 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.533 1.807 . . . . 0.0 110.999 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.584 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.2 Cg_endo -75.03 -14.38 23.19 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 121.001 -2.5 . . . . 0.0 110.983 0.039 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 107' ' ' SER . 62.1 p -53.64 -71.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.394 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 108' ' ' PRO . 3.2 m-20 -96.57 148.5 22.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.541 ' CD2' ' HB3' ' A' ' 108' ' ' PRO . 14.7 mt -142.0 157.82 44.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 57.0 t -127.6 125.79 66.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.747 ' NE1' ' HB3' ' A' ' 116' ' ' ALA . 6.1 t90 -82.86 102.15 11.45 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -78.78 -38.12 39.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.245 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.747 ' HB3' ' NE1' ' A' ' 114' ' ' TRP . . . -53.33 -49.56 66.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.517 ' HB2' ' CE2' ' A' ' 114' ' ' TRP . 0.8 OUTLIER -106.86 175.38 5.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.27 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -136.72 17.4 3.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 5.9 t -175.76 144.53 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.396 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.498 ' O ' ' CZ ' ' A' ' 71' ' ' ARG . 52.4 m95 -92.25 19.03 7.41 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' GLY . . . . . 0.462 ' O ' ' NH2' ' A' ' 71' ' ' ARG . . . 70.27 128.67 0.06 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.132 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 26.2 p -112.62 -166.03 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 123.16 161.53 11.22 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.453 1.095 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.3 p -63.61 -22.85 67.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.74 . . . . 0.0 110.025 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 68.6 p -118.55 129.0 55.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.033 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.454 HD22 HH21 ' A' ' 71' ' ' ARG . 0.7 OUTLIER -139.87 147.82 41.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.405 ' HB2' ' NH1' ' A' ' 127' ' ' ARG . 18.8 ttm105 -148.57 97.99 2.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.419 ' OG1' ' HD3' ' A' ' 71' ' ' ARG . 3.3 m -91.97 157.14 16.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.08 . . . . 0.0 110.402 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.447 ' HB3' ' HB2' ' A' ' 70' ' ' ARG . . . -156.58 153.27 28.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.423 HD23 HG23 ' A' ' 138' ' ' VAL . 13.8 tp -120.75 131.6 54.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.824 HD13 ' HA ' ' A' ' 137' ' ' GLU . 23.5 mm -113.58 147.94 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 136' ' ' GLU . 7.9 p30 -98.66 -168.25 1.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.451 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . 0.1 OUTLIER -38.23 -59.6 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.023 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 136' ' ' GLU . 5.7 t -81.47 160.84 23.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 110.395 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -67.82 63.94 0.32 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.559 1.162 . . . . 0.0 111.039 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' GLU . . . . . 0.445 ' O ' ' ND2' ' A' ' 132' ' ' ASN . 17.0 tt0 -141.94 134.35 28.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 0.761 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.824 ' HA ' HD13 ' A' ' 131' ' ' ILE . 10.8 tt0 -76.81 143.57 39.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.571 1.169 . . . . 0.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 37' ' ' SER . 1.1 m -114.05 -33.96 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -144.65 157.29 44.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 13.7 ptm -140.43 154.34 46.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.481 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 18.0 ttm-85 -139.81 89.18 2.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 48.6 tttt -79.48 145.05 33.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 109.26 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.431 HD22 ' HB3' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -150.09 118.29 6.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 5.0 t -126.83 124.05 64.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 48.7 ttt85 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 110.282 -179.984 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 39.0 m-70 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -89.96 163.16 15.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.0 100.81 0.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.34 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.89 148.66 26.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 110.396 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.9 OUTLIER -156.03 81.94 1.0 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.015 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.68 -128.44 2.0 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.431 1.082 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.2 mtm-85 -114.61 -37.41 4.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 110.32 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.684 HG21 ' OE1' ' A' ' 62' ' ' GLN . 40.7 t -92.79 146.98 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -135.02 136.4 42.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.252 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.614 ' CG1' HG23 ' A' ' 45' ' ' VAL . 30.7 t -64.19 90.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.76 -69.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 110.308 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -156.02 127.63 7.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.847 HG22 HG13 ' A' ' 52' ' ' VAL . 9.1 t -117.36 110.16 30.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -50.53 112.41 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.335 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.713 ' HB3' HD22 ' A' ' 143' ' ' LEU . 7.7 pt-20 -59.96 -36.87 78.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -57.74 -23.86 54.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.285 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 85.04 67.04 1.42 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -123.77 -45.09 2.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 0.795 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.558 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 45.7 p90 -156.34 156.95 34.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.847 HG13 HG22 ' A' ' 45' ' ' VAL . 24.4 t -120.06 115.98 49.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.353 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.71 122.83 44.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.778 HD11 HD13 ' A' ' 69' ' ' ILE . 4.4 mt -120.5 136.29 54.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -127.65 147.69 50.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.267 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.442 ' OD1' ' N ' ' A' ' 57' ' ' LYS . 54.2 t-20 -89.43 143.66 26.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.09 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.442 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 3.1 mmtp -108.53 -28.83 9.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 72.3 p -61.26 174.1 0.75 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.96 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.478 ' C ' ' CB ' ' A' ' 91' ' ' ALA . 1.6 p30 -103.0 -18.68 14.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.45 ' C ' ' HB2' ' A' ' 91' ' ' ALA . 5.8 mt-10 -103.67 137.02 42.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.332 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.37 134.81 6.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.684 ' OE1' HG21 ' A' ' 40' ' ' VAL . 0.9 OUTLIER -95.3 126.91 40.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.478 ' N ' HE21 ' A' ' 62' ' ' GLN . 0.7 OUTLIER -88.67 92.12 9.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.997 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.597 ' HA ' ' CD1' ' A' ' 67' ' ' TRP . 4.9 mtp -88.63 53.19 2.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -89.77 115.79 4.62 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.5 OUTLIER 82.19 6.25 1.04 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 0.763 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.65 ' CZ2' ' NE2' ' A' ' 62' ' ' GLN . 11.3 m0 -67.96 169.35 10.12 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.531 ' O ' HD12 ' A' ' 130' ' ' LEU . 8.8 mt-30 -152.52 166.45 31.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.908 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 1.2 mt -132.95 107.4 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 129' ' ' ALA . 3.9 mtt-85 -75.5 146.53 40.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.369 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.408 ' CZ ' ' HB3' ' A' ' 120' ' ' TRP . 4.3 tpt180 -144.49 89.55 2.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.357 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.536 ' HB2' HD13 ' A' ' 78' ' ' LEU . 1.3 tm0? -97.91 107.31 19.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 0.0 110.296 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.536 HD13 ' HB2' ' A' ' 72' ' ' GLN . 6.1 tp . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -105.49 159.0 16.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.961 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.9 m -144.12 94.62 2.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.401 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -67.09 99.02 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.5 124.07 29.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.267 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.908 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 25.7 m-85 -75.61 168.68 25.57 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.441 ' HD2' ' HB3' ' A' ' 83' ' ' PHE . 18.4 Cg_endo -74.96 163.72 34.84 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.541 1.811 . . . . 0.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 0.37 8.98 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.506 1.793 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.07 68.62 1.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.794 ' HZ ' HG21 ' A' ' 95' ' ' VAL . 19.5 t80 -129.41 90.71 3.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.88 113.74 25.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.37 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 53.6 tp -94.35 95.77 9.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -41.06 160.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.251 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.478 ' CB ' ' C ' ' A' ' 59' ' ' ASN . . . -76.15 135.64 39.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.96 7.74 81.83 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -92.59 171.69 8.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 110.272 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.9 p -137.98 160.01 33.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.794 HG21 ' HZ ' ' A' ' 87' ' ' PHE . 2.3 p -145.99 136.9 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.421 ' O ' ' N ' ' A' ' 112' ' ' LEU . 33.3 m -111.54 131.05 55.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.378 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.534 HD12 ' O ' ' A' ' 52' ' ' VAL . 4.4 mp -116.32 82.07 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.649 ' CG ' ' CB ' ' A' ' 104' ' ' ALA . 47.0 m95 -67.16 162.42 22.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 107.989 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 100' ' ' SER . . . -107.48 142.67 36.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 99' ' ' ALA . 5.3 t -38.79 -45.95 1.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.98 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -49.04 -59.21 7.06 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.77 162.26 1.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 0.757 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -97.88 48.9 1.44 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.649 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -83.12 -172.66 4.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 0.742 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.27 125.78 19.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.411 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.486 ' NE2' ' HG3' ' A' ' 108' ' ' PRO . 19.8 t60 -59.6 94.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.578 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.76 68.58 79.07 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.563 ' HB3' HD21 ' A' ' 112' ' ' LEU . 18.4 Cg_endo -74.98 169.31 22.91 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.481 1.78 . . . . 0.0 111.03 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.556 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -75.04 -17.22 20.34 Favored 'Cis proline' 0 C--N 1.361 1.186 0 C-N-CA 120.946 -2.523 . . . . 0.0 110.98 0.053 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.678 ' O ' HG23 ' A' ' 95' ' ' VAL . 40.7 p -55.38 -88.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.437 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -72.12 147.68 46.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.681 HD11 ' HE2' ' A' ' 87' ' ' PHE . 16.9 mt -144.4 165.16 28.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 72.0 t -135.09 123.75 40.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.472 ' CD2' ' HB2' ' A' ' 117' ' ' GLN . 5.1 t90 -85.33 93.05 8.62 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -77.89 -37.6 47.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -52.3 -43.18 64.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.472 ' HB2' ' CD2' ' A' ' 114' ' ' TRP . 1.2 mm100 -105.26 175.01 5.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 110.274 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -114.91 -16.08 11.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 8.9 t -174.47 144.79 0.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.411 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.554 ' CE2' ' CG2' ' A' ' 52' ' ' VAL . 77.5 m95 -60.25 -17.96 45.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 107.988 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 103.54 163.02 25.26 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.49 ' HA ' ' CD2' ' A' ' 126' ' ' LEU . 1.2 p -159.07 -178.64 7.37 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 125' ' ' SER . . . 131.63 42.72 0.18 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.53 1.144 . . . . 0.0 110.944 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.452 ' CB ' ' HB3' ' A' ' 145' ' ' ARG . 0.1 OUTLIER 67.6 -65.93 0.22 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 0.764 . . . . 0.0 110.049 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 123' ' ' GLY . 22.4 p -76.42 122.84 25.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.997 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.49 ' CD2' ' HA ' ' A' ' 122' ' ' CYS . 0.7 OUTLIER -140.78 146.62 37.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 39.9 ttt180 -148.86 96.28 2.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.28 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 52.1 m -95.46 153.41 17.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 110.399 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 70' ' ' ARG . . . -158.85 156.35 29.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.776 HD23 ' CG2' ' A' ' 138' ' ' VAL . 13.3 tp -116.88 127.98 54.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.474 ' O ' ' N ' ' A' ' 68' ' ' GLN . 18.0 mm -115.92 113.52 43.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ASN . . . . . 0.777 HD22 HG13 ' A' ' 138' ' ' VAL . 0.9 OUTLIER -63.29 178.55 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 132' ' ' ASN . 0.0 OUTLIER -35.88 -50.0 0.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.965 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 136' ' ' GLU . 10.7 p -83.52 159.8 21.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 110.399 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -68.42 60.02 0.44 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.473 1.108 . . . . 0.0 110.957 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' GLU . . . . . 0.452 ' O ' ' ND2' ' A' ' 132' ' ' ASN . 20.1 tt0 -137.65 142.11 41.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.761 . . . . 0.0 110.257 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.457 ' HA ' ' O ' ' A' ' 130' ' ' LEU . 6.8 tt0 -90.71 140.03 30.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.259 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.777 HG13 HD22 ' A' ' 132' ' ' ASN . 2.9 m -109.04 -39.74 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.36 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -143.59 159.53 42.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 15.0 ptm -145.66 140.13 27.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.981 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 18.5 ttt85 -126.42 89.98 3.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' LYS . . . . . 0.472 ' O ' HD12 ' A' ' 143' ' ' LEU . 75.0 tttt -82.14 150.19 27.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.713 HD22 ' HB3' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -157.0 116.82 3.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 12.2 t -126.88 127.02 69.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' ARG . . . . . 0.452 ' HB3' ' CB ' ' A' ' 124' ' ' SER . 71.5 ttt180 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.302 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.624 ' CD2' ' HB3' ' A' ' 142' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.494 ' CB ' ' HA ' ' A' ' 141' ' ' ARG . . . -129.7 163.8 25.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -143.81 112.45 6.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 110.285 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -92.51 147.51 22.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.424 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.4 OUTLIER -155.68 81.76 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.038 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.9 -144.21 9.87 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.8 mtm-85 -97.75 -36.6 10.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 0.736 . . . . 0.0 110.333 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.578 HG22 ' OD1' ' A' ' 56' ' ' ASN . 95.5 t -95.39 160.34 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.723 ' HB3' ' HD3' ' A' ' 57' ' ' LYS . . . -147.33 153.4 39.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.509 ' CG1' HG23 ' A' ' 45' ' ' VAL . 13.6 t -78.74 88.56 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.22 -60.96 0.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.332 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -168.17 133.48 1.82 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.841 HG22 HG13 ' A' ' 52' ' ' VAL . 7.1 t -120.13 109.73 26.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -44.71 115.1 0.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.524 ' O ' HD13 ' A' ' 126' ' ' LEU . 6.2 pt-20 -58.86 -35.79 73.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 110.302 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.99 -28.43 67.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.05 67.04 1.26 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.525 1.141 . . . . 0.0 111.01 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.467 ' HD2' ' CB ' ' A' ' 102' ' ' ALA . 0.1 OUTLIER -123.04 -52.25 1.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 0.808 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.573 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 27.5 p90 -144.13 156.71 44.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.841 HG13 HG22 ' A' ' 45' ' ' VAL . 44.8 t -118.24 114.61 45.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.16 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.533 ' HG3' HG23 ' A' ' 96' ' ' THR . 0.2 OUTLIER -97.27 128.22 43.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.247 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.414 HD11 HD13 ' A' ' 69' ' ' ILE . 6.6 mt -126.33 131.14 51.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -120.69 147.85 44.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.297 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.578 ' OD1' HG22 ' A' ' 40' ' ' VAL . 17.2 t-20 -98.47 109.88 22.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.723 ' HD3' ' HB3' ' A' ' 41' ' ' ALA . 0.8 OUTLIER -76.4 -36.25 58.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 84.0 p -59.16 153.79 17.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.022 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.43 ' HA ' ' HB1' ' A' ' 91' ' ' ALA . 3.9 p30 -98.41 27.89 4.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.123 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.433 ' C ' ' HB2' ' A' ' 91' ' ' ALA . 8.6 mm-40 -134.64 133.47 40.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -54.99 115.42 2.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.08 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.424 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 73.4 tp60 -100.52 118.89 37.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.34 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.64 145.06 43.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 109.965 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.442 ' HA ' ' CD1' ' A' ' 67' ' ' TRP . 0.3 OUTLIER -133.01 34.5 3.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.954 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.496 ' CA ' ' HA ' ' A' ' 85' ' ' PRO . . . -78.82 56.57 4.26 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER 158.04 -26.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 0.729 . . . . 0.0 109.352 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.442 ' CD1' ' HA ' ' A' ' 64' ' ' MET . 13.7 m0 -44.09 162.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 108.007 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -146.12 170.0 17.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.295 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 1.067 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 4.6 mt -132.34 118.28 35.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.43 ' NE ' HD21 ' A' ' 78' ' ' LEU . 0.3 OUTLIER -97.65 128.61 44.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.575 1.172 . . . . 0.0 110.268 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -131.06 121.38 24.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.489 ' HB2' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -129.52 115.37 17.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.444 ' ND2' ' C ' ' A' ' 121' ' ' GLY . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.489 HD13 ' HB2' ' A' ' 72' ' ' GLN . 10.0 tp . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.422 ' N ' HD12 ' A' ' 78' ' ' LEU . 0.3 OUTLIER -108.83 126.23 52.82 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.407 HG23 ' HG3' ' A' ' 70' ' ' ARG . 56.4 m -114.52 100.63 8.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.356 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.514 ' HB2' ' CH2' ' A' ' 114' ' ' TRP . 60.5 t80 -82.57 98.96 9.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -76.8 124.67 28.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 1.067 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 13.7 m-85 -68.68 167.85 17.45 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.418 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 18.3 Cg_endo -74.94 146.51 33.0 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.484 1.781 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.496 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.4 Cg_endo -74.97 11.61 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.536 1.809 . . . . 0.0 111.033 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.404 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.3 OUTLIER -132.83 47.54 2.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.487 ' HZ ' HG21 ' A' ' 95' ' ' VAL . 19.6 t80 -128.55 147.85 50.73 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.1 m -147.39 112.66 5.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 110.429 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 47.8 tp -84.06 98.09 9.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -49.59 170.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.433 ' HB2' ' C ' ' A' ' 60' ' ' GLU . . . -82.75 134.5 35.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 71.69 6.08 62.13 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -89.63 174.57 7.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 0.768 . . . . 0.0 110.317 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 11.3 p -142.15 157.23 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 110' ' ' THR . 14.4 p -142.56 148.63 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.533 HG23 ' HG3' ' A' ' 53' ' ' ARG . 2.9 m -122.75 130.5 53.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.391 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.511 HD12 ' O ' ' A' ' 52' ' ' VAL . 4.6 mp -116.09 80.85 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.611 ' CG ' ' CB ' ' A' ' 104' ' ' ALA . 34.8 m95 -67.05 162.91 21.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 107.979 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.442 ' HB1' ' HA ' ' A' ' 119' ' ' THR . . . -107.94 145.11 34.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.2 t -38.83 -57.99 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -43.59 -53.45 6.06 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.467 ' CB ' ' HD2' ' A' ' 50' ' ' LYS . . . -54.83 148.05 13.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 0.754 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -88.46 42.68 3.08 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.531 1.145 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.611 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -76.99 174.61 10.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -125.69 116.02 21.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 110.396 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -53.26 111.5 0.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.589 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.494 ' CB ' ' HB2' ' A' ' 111' ' ' ASP . 0.2 OUTLIER -144.28 68.66 15.55 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.011 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.544 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.2 Cg_endo -74.97 169.76 21.91 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.514 1.797 . . . . 0.0 110.979 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.544 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -74.95 -10.11 23.97 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.041 -2.483 . . . . 0.0 110.998 -0.051 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.649 ' O ' HG23 ' A' ' 95' ' ' VAL . 34.4 p -60.96 -82.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.403 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.494 ' HB2' ' CB ' ' A' ' 107' ' ' SER . 77.9 m-20 -73.08 146.07 46.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.095 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.469 ' CD2' ' HB3' ' A' ' 108' ' ' PRO . 13.4 mt -143.92 149.07 36.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.336 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 53.9 t -122.13 117.61 52.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.571 ' HE1' ' HB3' ' A' ' 116' ' ' ALA . 6.4 t90 -79.45 99.08 7.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 108.017 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -80.78 -44.39 18.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.571 ' HB3' ' HE1' ' A' ' 114' ' ' TRP . . . -43.47 -43.84 5.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.486 ' HB2' ' CD2' ' A' ' 114' ' ' TRP . 1.1 mm-40 -100.22 176.02 5.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.305 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -114.85 -20.39 10.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.442 ' HA ' ' HB1' ' A' ' 99' ' ' ALA . 9.1 t -170.22 156.93 6.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.42 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.406 ' CE2' HG23 ' A' ' 52' ' ' VAL . 61.3 m95 -75.16 -21.9 58.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 108.008 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' GLY . . . . . 0.444 ' C ' ' ND2' ' A' ' 73' ' ' ASN . . . 108.61 145.94 11.71 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 6.0 p -118.05 -172.04 2.18 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 124.75 140.99 5.59 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 24.1 p -43.06 -46.91 5.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 109.996 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.0 m -100.41 127.12 46.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.143 . . . . 0.0 109.971 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.524 HD13 ' O ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -134.53 146.08 49.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -143.3 122.8 13.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 23.0 m -120.39 163.48 17.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.421 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -158.44 153.44 25.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.251 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.453 HD23 HG23 ' A' ' 138' ' ' VAL . 13.3 tp -120.82 131.0 54.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.417 HD13 ' HA ' ' A' ' 137' ' ' GLU . 12.7 mm -112.6 147.25 16.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ASN . . . . . 0.656 ' OD1' HG22 ' A' ' 134' ' ' THR . 7.2 p30 -101.44 -170.16 1.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 132' ' ' ASN . 6.9 p -34.28 -60.08 0.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.996 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.656 HG22 ' OD1' ' A' ' 132' ' ' ASN . 2.3 t -83.13 162.31 21.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 110.356 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -68.29 59.46 0.42 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.451 1.094 . . . . 0.0 111.004 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' GLU . . . . . 0.448 ' HB3' HG23 ' A' ' 134' ' ' THR . 20.9 tt0 -133.54 141.23 47.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 0.775 . . . . 0.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.433 ' HG2' ' N ' ' A' ' 138' ' ' VAL . 1.9 tt0 -87.68 141.94 28.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 37' ' ' SER . 3.3 m -109.62 -36.46 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -150.32 158.21 43.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 19.2 ptm -145.11 137.46 25.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.494 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 18.8 ttm-85 -118.17 117.61 29.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.253 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 142' ' ' LYS . . . . . 0.624 ' HB3' ' CD2' ' A' ' 33' ' ' HIS . 10.5 tttt -108.13 131.64 54.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.501 HD12 ' HB3' ' A' ' 47' ' ' GLU . 1.0 OUTLIER -128.13 107.3 9.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 2.4 t -115.51 133.27 62.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 44.5 ttt180 . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 -179.977 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.492 ' HB2' ' HG3' ' A' ' 141' ' ' ARG . . . -103.97 151.86 22.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.0 mmt85 -153.91 117.27 4.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.252 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.485 HG21 ' HB2' ' A' ' 41' ' ' ALA . 0.9 OUTLIER -96.06 148.18 22.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.36 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 138' ' ' VAL . 5.6 m -156.25 82.11 0.99 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.95 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 164.62 -145.06 9.91 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -94.65 -39.41 10.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 0.793 . . . . 0.0 110.316 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.694 ' CG2' HD23 ' A' ' 89' ' ' LEU . 48.8 t -97.71 165.04 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.485 ' HB2' HG21 ' A' ' 36' ' ' THR . . . -145.41 158.06 43.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.457 ' CG1' HG23 ' A' ' 45' ' ' VAL . 20.6 t -82.72 85.15 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.245 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -39.6 -69.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.239 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -156.74 130.93 8.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.279 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.837 HG22 HG13 ' A' ' 52' ' ' VAL . 10.9 t -120.61 106.15 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.58 110.71 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.564 ' HB3' HD22 ' A' ' 143' ' ' LEU . 7.5 pt-20 -56.8 -36.81 70.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.326 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -58.81 -16.53 17.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.42 58.47 3.11 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.468 1.105 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.0 mtmm -111.26 -46.81 3.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 0.781 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.548 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 49.6 p90 -156.89 155.43 31.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 110.983 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.837 HG13 HG22 ' A' ' 45' ' ' VAL . 34.2 t -116.7 112.98 41.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.506 ' CG ' ' OG1' ' A' ' 96' ' ' THR . 0.0 OUTLIER -101.78 126.56 48.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.312 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.8 mt -121.64 134.54 54.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.348 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -121.37 150.25 41.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 110.263 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 58' ' ' SER . 31.6 t-20 -93.82 142.91 26.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -112.37 -32.31 6.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.25 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.47 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 1.4 t -61.1 169.78 1.9 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.546 1.153 . . . . 0.0 110.02 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.505 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 2.5 p30 -94.71 -26.12 16.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -97.92 136.9 37.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -42.71 157.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.678 ' HG3' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -119.26 100.6 7.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.279 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.489 ' N ' ' NE2' ' A' ' 62' ' ' GLN . 5.8 p -64.36 113.59 3.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.037 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -110.34 45.28 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.487 ' CA ' ' HA ' ' A' ' 85' ' ' PRO . . . -86.88 54.29 4.57 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER 157.77 -26.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 0.797 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.461 ' CE2' ' OE1' ' A' ' 62' ' ' GLN . 11.5 m0 -44.04 163.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 107.973 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.519 ' O ' HD12 ' A' ' 130' ' ' LEU . 7.6 mt-30 -147.82 171.92 14.96 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.894 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 4.2 mt -131.7 121.21 47.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.09 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.711 ' HB2' ' HB3' ' A' ' 129' ' ' ALA . 3.9 mtp85 -93.63 145.38 24.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.329 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.42 ' NH1' ' OG1' ' A' ' 128' ' ' THR . 0.1 OUTLIER -145.07 107.25 4.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -115.72 96.2 5.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 14.9 tp . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.1 mpp? -116.22 157.09 25.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.964 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 73.0 m -140.93 114.41 8.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.427 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.445 ' CD2' HD12 ' A' ' 69' ' ' ILE . 86.4 t80 -93.05 98.02 11.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.31 123.63 27.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.894 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 15.2 m-85 -69.94 166.43 32.83 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.988 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.473 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.3 Cg_endo -75.01 146.1 32.19 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.492 1.785 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.487 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.5 Cg_endo -74.97 18.27 0.54 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.477 1.777 . . . . 0.0 111.024 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.473 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.0 OUTLIER -140.34 43.38 1.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -123.39 149.16 45.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 m -149.4 112.68 4.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.428 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.694 HD23 ' CG2' ' A' ' 40' ' ' VAL . 44.6 tp -86.39 93.48 9.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -45.17 166.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 59' ' ' ASN . . . -79.46 135.85 36.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.33 3.02 64.49 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -88.02 175.3 7.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 0.0 110.247 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.441 HG22 HH11 ' A' ' 53' ' ' ARG . 11.9 p -145.91 154.07 13.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.538 1.149 . . . . 0.0 109.254 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 110' ' ' THR . 8.6 p -141.2 146.39 23.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.506 ' OG1' ' CG ' ' A' ' 53' ' ' ARG . 93.0 m -120.0 131.68 55.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 110.415 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.483 HD12 ' O ' ' A' ' 52' ' ' VAL . 4.6 mp -117.54 79.89 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.548 ' CE3' ' HB3' ' A' ' 51' ' ' PHE . 43.7 m95 -64.17 164.85 10.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 108.008 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 100' ' ' SER . . . -109.89 144.42 38.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 99' ' ' ALA . 3.3 t -37.5 -59.31 0.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.994 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 118' ' ' ASN . . . -37.34 -65.77 0.59 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 111.034 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.5 150.56 1.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 0.754 . . . . 0.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -91.21 45.89 2.83 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.447 1.092 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.438 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -74.25 -177.95 3.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 0.763 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.49 115.77 16.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.447 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.45 ' CE1' HD23 ' A' ' 112' ' ' LEU . 11.5 t60 -55.03 109.72 0.56 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.614 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.488 ' CB ' ' HB2' ' A' ' 111' ' ' ASP . 0.3 OUTLIER -141.62 68.02 24.69 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.045 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.543 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.2 Cg_endo -75.01 169.25 23.03 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.504 1.791 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.543 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -75.04 -13.14 23.89 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 120.981 -2.508 . . . . 0.0 111.028 0.034 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.715 ' O ' HG23 ' A' ' 95' ' ' VAL . 44.8 p -57.37 -80.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.398 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.503 ' N ' ' OG1' ' A' ' 110' ' ' THR . 37.2 m-20 -75.78 148.15 38.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.476 ' CD2' ' HB3' ' A' ' 108' ' ' PRO . 36.9 mt -145.32 148.77 33.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 49.5 t -123.32 119.63 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.325 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.565 ' NE1' ' HB3' ' A' ' 116' ' ' ALA . 7.2 t90 -81.69 98.23 8.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 107.955 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -78.73 -45.9 20.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.565 ' HB3' ' NE1' ' A' ' 114' ' ' TRP . . . -40.06 -52.81 2.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.498 ' HB2' ' CD2' ' A' ' 114' ' ' TRP . 0.8 OUTLIER -91.84 175.86 6.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.117 . . . . 0.0 110.284 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 101' ' ' GLY . 3.8 p30 -114.36 -26.54 7.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 11.6 t -164.4 134.5 4.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.152 . . . . 0.0 110.438 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 50.6 m95 -50.81 -36.65 38.28 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 119.74 137.67 5.53 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.536 1.147 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.578 ' C ' HD21 ' A' ' 126' ' ' LEU . 27.7 p -113.49 -157.71 0.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 109.46 152.92 14.68 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 55.2 p -55.42 -42.56 74.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 110.026 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 6.5 m -96.23 119.14 34.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.978 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.578 HD21 ' C ' ' A' ' 122' ' ' CYS . 0.5 OUTLIER -135.72 145.63 46.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -150.36 112.37 4.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.333 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.42 ' OG1' ' NH1' ' A' ' 71' ' ' ARG . 36.7 m -111.17 151.35 28.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.422 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.711 ' HB3' ' HB2' ' A' ' 70' ' ' ARG . . . -146.42 162.46 38.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.519 HD12 ' O ' ' A' ' 68' ' ' GLN . 12.5 tp -127.78 130.17 48.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.599 HG23 ' O ' ' A' ' 136' ' ' GLU . 20.0 mm -105.74 154.05 7.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ASN . . . . . 0.709 ' CG ' HG13 ' A' ' 138' ' ' VAL . 0.0 OUTLIER -110.51 -170.73 1.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 132' ' ' ASN . 24.1 p -36.49 -54.58 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.984 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 57.2 p -85.03 161.94 19.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 110.37 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -69.16 57.66 0.59 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.436 1.085 . . . . 0.0 111.027 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' GLU . . . . . 0.599 ' O ' HG23 ' A' ' 131' ' ' ILE . 21.1 tt0 -137.82 156.75 47.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.767 . . . . 0.0 110.356 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.448 ' N ' ' CG ' ' A' ' 136' ' ' GLU . 13.0 tt0 -95.36 136.19 36.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 110.272 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.709 HG13 ' CG ' ' A' ' 132' ' ' ASN . 1.9 m -111.41 -17.98 7.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -154.27 157.38 38.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 14.0 ptm -149.38 154.2 38.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.083 . . . . 0.0 111.005 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.492 ' HG3' ' HB2' ' A' ' 34' ' ' ALA . 13.7 ttm-85 -147.32 86.02 1.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.335 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 33.0 tttt -81.84 155.57 25.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.438 1.087 . . . . 0.0 109.287 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.564 HD22 ' HB3' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -158.13 111.84 2.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 3.9 t -122.36 124.37 70.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.977 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.473 ' CB ' ' HA ' ' A' ' 141' ' ' ARG . . . -108.84 145.08 35.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.361 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.2 mmt85 -137.69 109.07 6.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.316 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.22 148.33 28.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.429 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 138' ' ' VAL . 1.3 m -155.81 81.96 1.02 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.435 1.085 . . . . 0.0 110.014 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.37 -134.16 3.63 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.583 1.177 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -106.49 -41.15 5.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 0.779 . . . . 0.0 110.336 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.537 HG23 ' HG2' ' A' ' 62' ' ' GLN . 97.7 t -94.19 152.0 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.84 145.8 42.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.353 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.57 ' CG1' HG23 ' A' ' 45' ' ' VAL . 47.2 t -72.66 86.1 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 42' ' ' VAL . 0.1 OUTLIER -37.24 -65.53 0.3 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -162.16 134.57 5.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.329 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.84 HG22 HG13 ' A' ' 52' ' ' VAL . 7.5 t -120.8 106.42 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -42.49 106.93 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.446 ' O ' ' CD1' ' A' ' 126' ' ' LEU . 7.9 pt-20 -52.57 -40.66 62.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 110.267 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -54.34 -30.74 52.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 110.302 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.55 80.78 1.42 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.3 mtmt -139.59 -54.57 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 0.762 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.559 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 29.9 p90 -141.98 154.86 45.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.84 HG13 HG22 ' A' ' 45' ' ' VAL . 42.4 t -117.66 114.98 47.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.92 121.66 39.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.703 HD11 HD13 ' A' ' 69' ' ' ILE . 7.3 mt -119.34 131.38 55.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.429 ' NE ' ' HE2' ' A' ' 57' ' ' LYS . 0.3 OUTLIER -125.13 146.25 49.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -96.13 136.22 36.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.429 ' HE2' ' NE ' ' A' ' 55' ' ' ARG . 3.4 mmtt -105.12 -22.49 13.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.606 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 57.6 p -64.19 160.45 18.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.465 ' C ' ' CB ' ' A' ' 91' ' ' ALA . 10.7 t-20 -88.05 -22.96 23.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -102.06 137.49 40.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -52.26 129.63 28.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.537 ' HG2' HG23 ' A' ' 40' ' ' VAL . 40.1 tp60 -99.26 114.92 28.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.9 t -76.63 120.92 22.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.995 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.564 ' HA ' ' CG ' ' A' ' 67' ' ' TRP . 20.1 mtp -100.86 44.22 1.02 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.472 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -77.63 114.2 3.94 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.5 OUTLIER 80.09 8.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 0.787 . . . . 0.0 109.278 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.564 ' CG ' ' HA ' ' A' ' 64' ' ' MET . 10.7 m0 -70.18 167.77 17.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 107.97 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.513 ' O ' HD12 ' A' ' 130' ' ' LEU . 2.7 mt-30 -148.61 169.1 21.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.283 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.96 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 2.0 mt -137.56 110.24 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 129' ' ' ALA . 0.7 OUTLIER -78.48 147.21 34.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 110.298 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.632 ' O ' HD12 ' A' ' 78' ' ' LEU . 5.0 tpp180 -149.79 118.82 6.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.326 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.423 ' HB2' HD13 ' A' ' 78' ' ' LEU . 8.0 tm0? -126.53 141.35 51.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.369 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.632 HD12 ' O ' ' A' ' 71' ' ' ARG . 7.3 tp . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -107.04 152.01 24.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 93.7 m -135.0 102.09 5.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.404 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -72.76 105.9 4.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 111.026 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -82.33 141.4 32.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.26 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.96 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 14.0 m-85 -92.81 168.85 11.57 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.514 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.2 Cg_endo -75.0 152.55 40.88 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.537 1.809 . . . . 0.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 30.19 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.431 1.753 . . . . 0.0 111.022 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.514 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.0 OUTLIER -166.05 59.91 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.41 ' HZ ' HG21 ' A' ' 95' ' ' VAL . 25.4 t80 -127.34 126.04 41.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.61 139.87 52.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.386 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.453 HD23 ' CG2' ' A' ' 40' ' ' VAL . 43.7 tp -118.27 91.14 3.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 89' ' ' LEU . 33.2 mtmt -42.91 165.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.606 ' HB1' ' O ' ' A' ' 58' ' ' SER . . . -81.72 133.93 35.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.22 6.08 85.92 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.431 1.082 . . . . 0.0 111.059 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -90.91 173.12 8.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 0.769 . . . . 0.0 110.356 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.0 p -141.22 158.78 22.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 110' ' ' THR . 9.6 p -143.06 149.01 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 112' ' ' LEU . 1.6 m -122.79 128.61 50.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.381 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.641 HD12 ' O ' ' A' ' 52' ' ' VAL . 4.0 mp -115.46 82.18 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.569 ' CG ' ' CB ' ' A' ' 104' ' ' ALA . 46.0 m95 -68.4 163.8 22.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 108.013 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 100' ' ' SER . . . -111.21 143.02 42.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 99' ' ' ALA . 3.6 t -37.57 -51.04 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.987 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 118' ' ' ASN . . . -83.4 59.61 4.96 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -137.66 -47.66 0.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 0.74 . . . . 0.0 109.298 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 103.71 20.4 10.85 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.529 1.143 . . . . 0.0 111.042 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.569 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -80.32 -171.04 2.81 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 0.763 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -134.46 122.25 22.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.442 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.463 ' NE2' ' HG3' ' A' ' 108' ' ' PRO . 22.3 t60 -56.75 93.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.593 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 111' ' ' ASP . 0.5 OUTLIER -125.26 72.68 66.03 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.03 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.564 ' HB3' HD21 ' A' ' 112' ' ' LEU . 18.2 Cg_endo -74.97 169.33 22.86 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.53 1.805 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.552 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.5 Cg_endo -74.91 -23.2 12.89 Favored 'Cis proline' 0 C--N 1.361 1.21 0 C-N-CA 121.009 -2.496 . . . . 0.0 111.01 -0.09 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.72 ' O ' HG23 ' A' ' 95' ' ' VAL . 42.7 p -53.87 -90.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.427 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 107' ' ' SER . 5.6 m-20 -63.72 142.1 58.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.564 HD21 ' HB3' ' A' ' 108' ' ' PRO . 17.0 mt -144.1 164.63 30.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 57.3 t -133.16 126.47 53.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.444 ' NE1' ' HB3' ' A' ' 116' ' ' ALA . 6.7 t90 -89.39 95.39 10.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 108.038 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 116' ' ' ALA . 20.1 mtpt -77.6 -47.22 19.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.444 ' HB3' ' NE1' ' A' ' 114' ' ' TRP . . . -39.83 -43.93 1.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.356 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.402 ' HB2' ' CE2' ' A' ' 114' ' ' TRP . 1.1 mm100 -104.08 176.03 5.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.42 ' O ' ' N ' ' A' ' 101' ' ' GLY . 3.8 p30 -114.2 -20.67 10.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 12.1 t -169.44 136.02 1.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.378 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.651 ' CE2' ' CG2' ' A' ' 52' ' ' VAL . 59.7 m95 -48.55 -40.11 25.9 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 126.76 142.76 5.7 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 2.3 p -114.59 -172.69 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 129.88 139.39 4.57 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 9.6 p -42.77 -34.47 0.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 0.0 109.995 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -121.47 134.92 55.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 110.026 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.446 ' CD1' ' O ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -135.06 150.47 50.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 1.6 ttp85 -139.77 105.92 5.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 24.1 m -107.38 159.52 16.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 110.423 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 70' ' ' ARG . . . -159.51 160.42 34.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.235 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.61 HD23 HG23 ' A' ' 138' ' ' VAL . 12.7 tp -123.97 133.03 53.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.522 HD13 ' HA ' ' A' ' 137' ' ' GLU . 13.6 mm -116.42 147.79 19.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ASN . . . . . 0.8 ' OD1' HG22 ' A' ' 134' ' ' THR . 7.8 p30 -100.53 -171.41 2.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 132' ' ' ASN . 24.0 p -36.05 -58.63 0.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.8 HG22 ' OD1' ' A' ' 132' ' ' ASN . 2.8 t -81.48 160.25 24.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.385 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -67.93 60.94 0.36 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 134' ' ' THR . 18.1 tt0 -137.56 139.51 40.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 0.0 110.3 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.522 ' HA ' HD13 ' A' ' 131' ' ' ILE . 24.6 tt0 -84.84 147.39 26.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.25 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.61 HG23 HD23 ' A' ' 130' ' ' LEU . 2.7 m -115.12 -36.25 2.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -144.07 157.51 44.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 14.1 ptm -138.38 146.5 42.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.473 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 25.9 ttm-85 -137.71 103.76 5.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.148 . . . . 0.0 110.234 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 142' ' ' LYS . . . . . 0.526 ' O ' HD22 ' A' ' 143' ' ' LEU . 15.1 tttt -106.03 131.95 52.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.115 . . . . 0.0 109.322 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.526 HD22 ' O ' ' A' ' 142' ' ' LYS . 1.1 mm? -121.56 119.55 32.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.346 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 3.3 t -115.95 137.82 48.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.306 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.561 ' HB2' ' HG3' ' A' ' 141' ' ' ARG . . . -100.36 161.71 13.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.87 106.33 1.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.0 149.25 26.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.395 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.2 OUTLIER -156.17 82.14 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.044 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 157.88 -137.47 5.32 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.548 1.155 . . . . 0.0 111.021 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.455 ' CG ' ' HB3' ' A' ' 58' ' ' SER . 5.1 mtm-85 -103.6 -38.27 7.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 0.753 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.559 HG23 ' HG2' ' A' ' 62' ' ' GLN . 65.6 t -92.52 160.97 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.419 ' N ' HG12 ' A' ' 40' ' ' VAL . . . -148.59 145.57 27.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.655 ' CG1' HG23 ' A' ' 45' ' ' VAL . 24.7 t -75.15 85.52 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.07 -62.03 0.69 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.343 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -163.63 132.33 3.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 110.319 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.872 HG22 HG13 ' A' ' 52' ' ' VAL . 6.8 t -119.71 102.78 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -44.12 109.18 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -56.14 -32.73 64.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -56.86 -35.05 68.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.92 64.22 0.99 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -124.01 -52.32 1.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 0.752 . . . . 0.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.568 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 33.1 p90 -146.17 156.11 43.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.872 HG13 HG22 ' A' ' 45' ' ' VAL . 25.2 t -119.1 114.99 46.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.89 125.76 40.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.337 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.62 HD11 HD13 ' A' ' 69' ' ' ILE . 5.7 mt -124.81 126.91 46.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.483 ' CG ' HG22 ' A' ' 94' ' ' VAL . 28.0 ttp180 -119.05 147.06 44.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.266 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -93.25 136.74 33.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -103.26 -24.84 13.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.455 ' HB3' ' CG ' ' A' ' 39' ' ' ARG . 56.0 p -61.92 168.7 2.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.022 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.494 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 1.9 p30 -100.62 -26.5 13.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -93.62 131.99 38.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -44.37 117.99 1.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.559 ' HG2' HG23 ' A' ' 40' ' ' VAL . 63.2 tp60 -84.39 158.53 21.07 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.445 1.091 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.528 ' H ' ' NE2' ' A' ' 62' ' ' GLN . 35.6 t -124.64 121.95 36.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.024 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.588 ' HA ' ' CG ' ' A' ' 67' ' ' TRP . 13.6 mtp -106.05 46.24 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 111.011 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -78.98 113.07 3.59 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER 81.46 5.88 1.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 0.757 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.588 ' CG ' ' HA ' ' A' ' 64' ' ' MET . 11.7 m0 -66.64 167.15 11.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 108.025 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -147.46 168.51 21.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.317 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.993 HD11 ' CE2' ' A' ' 83' ' ' PHE . 2.1 mt -135.77 111.69 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.452 ' HB2' ' HB3' ' A' ' 129' ' ' ALA . 26.5 mtt-85 -83.12 140.91 32.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.345 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.446 ' HB3' ' CG ' ' A' ' 79' ' ' MET . 0.7 OUTLIER -143.48 116.2 8.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.3 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.421 ' CG ' ' HG ' ' A' ' 78' ' ' LEU . 10.2 tm0? -129.72 134.22 47.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.623 HD23 ' N ' ' A' ' 79' ' ' MET . 1.4 tt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.623 ' N ' HD23 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -114.1 155.7 25.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.985 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 69' ' ' ILE . 52.6 m -144.55 101.28 3.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.397 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -74.39 106.74 6.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 111.034 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -80.92 147.74 30.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 110.278 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.993 ' CE2' HD11 ' A' ' 69' ' ' ILE . 11.0 m-85 -102.3 170.02 6.88 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 111.047 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 18.2 Cg_endo -75.02 153.33 41.58 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.485 1.782 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 84' ' ' PRO . 18.4 Cg_endo -74.99 6.1 3.59 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.4 mmmt -140.16 66.37 1.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.468 ' HZ ' HG21 ' A' ' 95' ' ' VAL . 25.0 t80 -130.28 122.59 28.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -118.87 120.31 36.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.402 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 62' ' ' GLN . 58.9 tp -99.75 90.54 4.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -40.49 159.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 59' ' ' ASN . . . -75.97 133.38 40.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.346 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 76.66 3.83 79.87 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -85.3 -179.04 6.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.483 HG22 ' CG ' ' A' ' 55' ' ' ARG . 17.2 t -151.71 144.51 16.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 110' ' ' THR . 1.9 p -130.16 140.35 49.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 109.331 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 112' ' ' LEU . 1.3 m -111.96 132.99 54.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 110.388 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.514 ' N ' HD12 ' A' ' 97' ' ' ILE . 4.6 mp -117.27 81.61 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.601 ' CB ' ' CB ' ' A' ' 104' ' ' ALA . 31.1 m95 -71.44 163.18 28.19 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 100' ' ' SER . . . -104.36 146.07 29.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.36 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 99' ' ' ALA . 2.5 t -37.98 -37.09 0.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.0 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -110.42 71.65 0.21 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -151.65 23.06 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 0.792 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 42.54 41.1 4.04 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.511 1.132 . . . . 0.0 111.019 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.601 ' CB ' ' CB ' ' A' ' 98' ' ' TRP . . . -99.33 -171.23 2.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 0.746 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -146.66 120.58 9.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.368 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.486 ' NE2' ' HG3' ' A' ' 108' ' ' PRO . 21.7 t60 -56.81 94.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.617 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 111' ' ' ASP . 0.5 OUTLIER -128.61 68.98 79.11 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.979 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.574 ' HB3' HD21 ' A' ' 112' ' ' LEU . 18.3 Cg_endo -75.04 169.62 22.21 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.471 1.774 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.564 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -75.0 -13.29 23.71 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.999 -2.5 . . . . 0.0 111.058 -0.002 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.617 ' O ' HG23 ' A' ' 95' ' ' VAL . 37.7 p -58.27 -92.35 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 110.453 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' A' ' 112' ' ' LEU . 3.0 t0 -69.99 143.61 52.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.348 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.574 HD21 ' HB3' ' A' ' 108' ' ' PRO . 18.7 mt -139.04 164.84 28.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 72.1 t -132.09 126.54 56.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.765 ' NE1' ' HB3' ' A' ' 116' ' ' ALA . 6.7 t90 -87.77 100.11 12.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.16 . . . . 0.0 108.011 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -79.38 -37.64 36.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.36 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.765 ' HB3' ' NE1' ' A' ' 114' ' ' TRP . . . -52.06 -41.9 62.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.511 ' HB2' ' CE2' ' A' ' 114' ' ' TRP . 0.8 OUTLIER -112.89 170.81 7.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.323 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -113.4 -21.41 10.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.264 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 11.3 t -157.19 144.79 18.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.372 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.656 ' CE2' ' CG2' ' A' ' 52' ' ' VAL . 52.1 m95 -64.36 -46.71 82.23 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 135.5 135.1 3.42 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.488 1.118 . . . . 0.0 111.014 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.608 ' C ' HD21 ' A' ' 126' ' ' LEU . 22.0 p -110.34 -156.18 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 110.17 159.68 17.53 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.48 1.112 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 145' ' ' ARG . 91.0 p -58.99 -55.09 39.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.773 . . . . 0.0 109.946 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.904 ' HA ' HG23 ' A' ' 144' ' ' VAL . 16.5 p -94.1 127.46 39.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.977 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.608 HD21 ' C ' ' A' ' 122' ' ' CYS . 0.6 OUTLIER -136.38 158.27 44.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -160.29 123.34 3.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 15.9 m -121.04 162.32 20.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.354 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.452 ' HB3' ' HB2' ' A' ' 70' ' ' ARG . . . -158.58 156.31 29.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.507 HD23 HG23 ' A' ' 138' ' ' VAL . 13.2 tp -119.48 131.35 55.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.664 HD13 ' HA ' ' A' ' 137' ' ' GLU . 18.1 mm -115.3 147.04 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.153 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ASN . . . . . 0.76 ' OD1' HG22 ' A' ' 134' ' ' THR . 6.4 p30 -98.38 -170.97 2.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 132' ' ' ASN . 23.5 p -36.1 -58.74 0.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.029 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.76 HG22 ' OD1' ' A' ' 132' ' ' ASN . 1.9 t -81.67 161.07 23.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.39 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -68.43 63.61 0.42 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.127 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' GLU . . . . . 0.454 ' O ' HG23 ' A' ' 131' ' ' ILE . 15.8 tt0 -139.49 137.19 35.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.756 . . . . 0.0 110.288 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.664 ' HA ' HD13 ' A' ' 131' ' ' ILE . 8.1 tt0 -84.38 141.07 31.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.327 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.507 HG23 HD23 ' A' ' 130' ' ' LEU . 2.4 m -107.84 -38.9 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -142.27 161.45 37.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -141.47 154.25 45.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.561 ' HG3' ' HB2' ' A' ' 34' ' ' ALA . 3.9 ttt85 -145.04 97.45 3.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -92.89 151.68 19.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 126' ' ' LEU . 0.3 OUTLIER -160.26 116.63 2.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.904 HG23 ' HA ' ' A' ' 125' ' ' SER . 9.9 p -128.48 151.45 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 145' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 124' ' ' SER . 32.9 ttt180 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.276 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.472 ' CB ' ' HA ' ' A' ' 141' ' ' ARG . . . -101.91 159.58 15.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -158.86 109.22 2.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.407 HG21 ' HB2' ' A' ' 41' ' ' ALA . 0.9 OUTLIER -88.59 147.68 24.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.387 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.2 OUTLIER -156.12 82.14 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.989 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 160.75 -145.14 10.66 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.419 ' CD ' ' CD ' ' A' ' 60' ' ' GLU . 10.9 mtm-85 -97.42 -40.79 8.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 0.763 . . . . 0.0 110.23 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.533 HG23 ' HG3' ' A' ' 62' ' ' GLN . 23.2 t -95.62 144.35 10.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 109.27 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.826 ' HB3' ' HD3' ' A' ' 57' ' ' LYS . . . -129.67 154.7 46.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.516 ' CG1' HG23 ' A' ' 45' ' ' VAL . 60.8 t -80.64 86.7 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 109.278 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.87 -67.89 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -158.6 132.52 7.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.261 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.831 HG22 HG13 ' A' ' 52' ' ' VAL . 8.2 t -120.27 107.36 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.93 107.48 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.666 ' HB3' HD22 ' A' ' 143' ' ' LEU . 7.1 pt-20 -56.49 -36.31 68.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -57.67 -17.95 17.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.94 64.66 1.91 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.488 1.117 . . . . 0.0 111.026 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -121.98 -47.49 2.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 0.762 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.619 ' CD2' ' CZ3' ' A' ' 98' ' ' TRP . 28.3 p90 -154.07 156.73 37.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.831 HG13 HG22 ' A' ' 45' ' ' VAL . 23.4 t -117.84 118.58 58.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.257 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.463 ' HG3' HG23 ' A' ' 96' ' ' THR . 0.2 OUTLIER -104.16 126.06 50.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.273 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.565 HD21 ' CG1' ' A' ' 52' ' ' VAL . 6.0 mt -125.5 139.55 53.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.6 ttp85 -126.48 153.93 44.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 110.273 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -99.64 99.81 10.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.348 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.826 ' HD3' ' HB3' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -68.34 -35.74 78.21 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.516 1.135 . . . . 0.0 109.36 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.405 ' CB ' ' HB3' ' A' ' 39' ' ' ARG . 15.7 t -57.55 172.27 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 110.007 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.477 ' C ' ' CB ' ' A' ' 91' ' ' ALA . 1.8 p30 -108.2 -0.8 20.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.52 ' C ' ' HB2' ' A' ' 91' ' ' ALA . 1.5 pt-20 -108.72 154.06 22.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.274 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 -64.93 136.68 57.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.61 ' OE1' ' CZ2' ' A' ' 67' ' ' TRP . 0.0 OUTLIER -112.34 102.87 10.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.524 ' N ' ' NE2' ' A' ' 62' ' ' GLN . 55.5 m -72.79 120.4 18.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.996 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -113.64 47.24 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.503 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -88.28 56.71 4.25 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.456 1.098 . . . . 0.0 111.035 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 1.0 OUTLIER 155.67 -24.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 0.769 . . . . 0.0 109.292 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.61 ' CZ2' ' OE1' ' A' ' 62' ' ' GLN . 11.4 m0 -42.25 161.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 107.997 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.439 ' CG ' ' C ' ' A' ' 67' ' ' TRP . 5.0 mt-30 -153.98 133.99 13.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.325 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.878 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 13.0 mt -91.83 124.26 44.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.5 mtt-85 -97.44 117.88 32.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.508 ' O ' HD12 ' A' ' 78' ' ' LEU . 9.2 tpt180 -115.03 111.53 21.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.267 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.464 ' CG ' HD13 ' A' ' 78' ' ' LEU . 5.5 tm0? -117.68 126.96 53.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.423 ' OD1' ' NE ' ' A' ' 71' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.508 HD12 ' O ' ' A' ' 71' ' ' ARG . 22.8 tp . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 51.2 mtm -113.81 152.17 31.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 69' ' ' ILE . 18.3 m -140.23 88.52 2.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.393 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.838 ' CD2' HD12 ' A' ' 69' ' ' ILE . 41.0 t80 -71.79 95.74 1.55 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -75.02 127.69 33.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.878 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 10.6 m-85 -74.29 169.05 21.07 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.414 ' O ' ' HA2' ' A' ' 65' ' ' GLY . 18.3 Cg_endo -75.03 147.89 34.43 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.496 1.788 . . . . 0.0 111.0 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.474 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.4 Cg_endo -75.0 5.15 4.15 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.457 1.767 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.407 ' N ' ' HD3' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -128.8 50.38 2.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.412 ' CZ ' HG21 ' A' ' 95' ' ' VAL . 5.7 t80 -128.23 141.76 51.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 110.948 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 m -144.1 105.72 4.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.385 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 34.8 tp -84.08 91.94 7.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -46.5 166.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.52 ' HB2' ' C ' ' A' ' 60' ' ' GLU . . . -76.15 138.18 40.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 75.35 -0.46 59.8 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -87.27 169.31 12.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.754 . . . . 0.0 110.289 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 54' ' ' LEU . 10.9 p -139.51 154.25 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.092 . . . . 0.0 109.322 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 110' ' ' THR . 5.9 p -141.16 136.62 33.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.463 HG23 ' HG3' ' A' ' 53' ' ' ARG . 9.3 m -113.93 132.86 55.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.405 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 4.8 mp -118.8 83.95 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.619 ' CZ3' ' CD2' ' A' ' 51' ' ' PHE . 23.7 m95 -69.33 167.42 16.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 108.056 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 101' ' ' GLY . . . -111.96 136.6 51.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.155 . . . . 0.0 109.301 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 99' ' ' ALA . 47.1 t -38.67 -30.23 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 0.0 110.031 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 99' ' ' ALA . . . -66.94 -51.63 38.54 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.467 1.104 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 99' ' ' ALA . . . -47.06 -48.99 22.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.749 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 89.27 24.47 31.4 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.434 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -59.55 -163.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 0.784 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.69 115.81 22.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.417 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -58.64 111.24 1.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.631 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.481 ' CB ' ' HB2' ' A' ' 111' ' ' ASP . 0.6 OUTLIER -143.02 68.23 17.81 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.002 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.539 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.2 Cg_endo -75.05 169.74 21.93 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.545 1.813 . . . . 0.0 110.965 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.539 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -74.99 -10.94 24.24 Favored 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 121.045 -2.481 . . . . 0.0 111.005 -0.012 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.497 ' O ' HG23 ' A' ' 95' ' ' VAL . 35.0 p -59.57 -79.26 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.432 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.481 ' HB2' ' CB ' ' A' ' 107' ' ' SER . 4.4 m-20 -76.91 143.96 39.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.496 ' CD2' ' HB3' ' A' ' 108' ' ' PRO . 8.8 mt -143.15 144.93 32.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 42.6 t -118.1 127.18 75.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.53 ' CD2' ' HB2' ' A' ' 117' ' ' GLN . 5.4 t90 -84.78 102.14 12.79 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.86 -44.22 17.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -49.58 -35.49 20.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.53 ' HB2' ' CD2' ' A' ' 114' ' ' TRP . 0.4 OUTLIER -115.4 174.31 6.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 110.297 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -136.82 15.22 3.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 1.7 t -176.5 148.46 0.73 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.378 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.44 ' O ' ' CZ ' ' A' ' 71' ' ' ARG . 43.1 m95 -92.5 15.45 14.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 108.038 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 73.38 112.19 0.07 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.507 1.129 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 11.4 p -97.4 -169.91 1.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 122.09 154.18 9.08 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.52 1.138 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 67.6 p -54.56 -42.52 71.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 0.752 . . . . 0.0 109.993 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 44.7 m -96.39 122.15 38.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.033 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.434 HD22 HH21 ' A' ' 71' ' ' ARG . 0.6 OUTLIER -137.52 150.23 47.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -153.72 104.91 2.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 110.334 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.429 HG21 HG21 ' A' ' 45' ' ' VAL . 22.0 m -101.72 152.51 20.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.364 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -152.72 156.57 39.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.553 HD21 ' HZ3' ' A' ' 67' ' ' TRP . 13.9 tp -120.2 132.4 55.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.641 HD13 ' HA ' ' A' ' 137' ' ' GLU . 24.6 mm -116.22 147.08 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ASN . . . . . 0.56 ' HA ' ' CG ' ' A' ' 67' ' ' TRP . 10.6 p30 -99.99 -166.65 1.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.517 ' OG ' ' N ' ' A' ' 134' ' ' THR . 1.3 p -35.34 -66.04 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.99 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.517 ' N ' ' OG ' ' A' ' 133' ' ' SER . 14.6 t -79.1 162.71 25.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.376 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -67.76 62.1 0.32 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 134' ' ' THR . 12.5 tt0 -135.5 136.28 41.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 0.75 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.641 ' HA ' HD13 ' A' ' 131' ' ' ILE . 4.8 tt0 -83.28 138.62 33.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.261 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.493 HG13 HD22 ' A' ' 132' ' ' ASN . 3.4 m -110.9 -30.62 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -144.73 157.44 44.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 15.1 ptm -142.78 151.77 41.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.472 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 17.4 ttm-85 -144.65 82.31 1.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.328 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 142' ' ' LYS . . . . . 0.836 ' HD3' HG23 ' A' ' 144' ' ' VAL . 0.1 OUTLIER -78.37 154.58 30.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.666 HD22 ' HB3' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -161.6 118.0 2.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.836 HG23 ' HD3' ' A' ' 142' ' ' LYS . 22.1 t -128.86 128.64 67.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 110.324 179.977 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.421 ' N ' ' O ' ' A' ' 142' ' ' LYS . 67.4 m-70 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -106.94 164.0 12.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.95 106.88 0.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.59 147.74 29.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 0.0 110.432 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 138' ' ' VAL . 2.3 m -156.28 81.98 0.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.989 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.68 -142.89 8.6 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.446 1.091 . . . . 0.0 111.034 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.448 ' NH1' ' CD ' ' A' ' 60' ' ' GLU . 8.8 mtm180 -95.32 -43.34 8.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 0.78 . . . . 0.0 110.316 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.574 HG23 ' HG2' ' A' ' 62' ' ' GLN . 87.6 t -91.35 166.6 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.528 ' N ' HG12 ' A' ' 40' ' ' VAL . . . -151.48 141.95 22.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.447 ' CG1' HG23 ' A' ' 45' ' ' VAL . 30.0 t -67.83 86.99 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.99 -67.18 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.417 ' HA ' ' NH2' ' A' ' 141' ' ' ARG . 2.0 tp10 -161.64 134.47 6.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.825 HG22 HG13 ' A' ' 52' ' ' VAL . 6.5 t -119.83 109.61 26.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.525 ' OD2' ' N ' ' A' ' 49' ' ' GLY . 0.1 OUTLIER -42.91 117.55 1.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.53 ' HB3' HD22 ' A' ' 143' ' ' LEU . 5.6 pt-20 -68.56 -19.97 64.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -75.92 -12.71 60.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.525 ' N ' ' OD2' ' A' ' 46' ' ' ASP . . . 73.48 94.0 0.11 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.506 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 10.8 mtmt -158.91 -54.79 0.06 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 0.765 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.587 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 19.3 p90 -138.49 159.18 42.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.825 HG13 HG22 ' A' ' 45' ' ' VAL . 38.1 t -124.72 113.79 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.417 ' HG3' HG23 ' A' ' 96' ' ' THR . 0.0 OUTLIER -95.61 124.95 39.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.342 179.925 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.522 HD11 HD13 ' A' ' 69' ' ' ILE . 6.9 mt -123.35 132.93 54.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.412 ' HG2' ' CE ' ' A' ' 57' ' ' LYS . 17.4 ttp180 -124.04 148.06 47.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.326 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 32.6 t-20 -95.09 130.98 41.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.412 ' CE ' ' HG2' ' A' ' 55' ' ' ARG . 7.1 mmpt? -97.14 -30.27 13.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.659 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 82.6 p -61.19 154.89 22.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.441 ' C ' ' CB ' ' A' ' 91' ' ' ALA . 10.9 t-20 -88.23 -15.29 36.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.565 ' C ' ' HB2' ' A' ' 91' ' ' ALA . 5.6 pt-20 -96.27 149.24 21.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -63.79 124.24 20.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.574 ' HG2' HG23 ' A' ' 40' ' ' VAL . 42.8 tp60 -100.81 118.19 36.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.1 t -80.2 140.7 36.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.986 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.539 ' HA ' ' CD1' ' A' ' 67' ' ' TRP . 56.1 mtp -126.87 29.5 5.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.508 ' CA ' ' HA ' ' A' ' 85' ' ' PRO . . . -74.95 55.16 2.64 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.491 1.119 . . . . 0.0 110.953 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 1.0 OUTLIER 155.67 -24.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 0.783 . . . . 0.0 109.262 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.539 ' CD1' ' HA ' ' A' ' 64' ' ' MET . 11.1 m0 -44.12 163.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 108.021 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.42 ' O ' HD12 ' A' ' 130' ' ' LEU . 11.3 mt-30 -144.22 168.51 19.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 1.126 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 6.8 mt -131.56 122.03 49.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.708 ' HB2' ' HB3' ' A' ' 129' ' ' ALA . 6.4 mtp85 -95.73 143.93 26.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.264 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -148.6 100.39 3.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.99 ' HB2' HD13 ' A' ' 78' ' ' LEU . 21.7 tm0? -117.81 126.61 52.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 121' ' ' GLY . 86.1 m-20 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.99 HD13 ' HB2' ' A' ' 72' ' ' GLN . 8.8 tp . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.422 ' N ' HD12 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -118.87 159.37 23.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.493 ' OG1' ' CZ ' ' A' ' 70' ' ' ARG . 28.9 m -145.77 105.87 4.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.39 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.502 ' HB2' ' CH2' ' A' ' 114' ' ' TRP . 61.9 t80 -87.59 111.04 20.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.113 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.6 ttp85 -88.01 120.2 29.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.331 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 1.126 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 16.4 m-85 -63.89 166.5 9.81 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.431 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.2 Cg_endo -75.04 147.72 34.13 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.496 1.787 . . . . 0.0 110.942 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.508 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.2 Cg_endo -75.03 15.19 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.465 1.771 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.431 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.3 OUTLIER -134.07 41.74 2.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -129.18 135.29 48.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.8 m -135.98 113.26 10.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.425 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 30.1 tp -87.26 97.27 10.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -51.15 167.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.659 ' HB1' ' O ' ' A' ' 58' ' ' SER . . . -78.22 136.07 37.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 75.87 2.65 71.59 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -88.8 170.94 10.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 0.736 . . . . 0.0 110.285 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 13.3 p -139.5 158.45 27.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 110' ' ' THR . 7.3 p -146.86 145.79 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.251 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 112' ' ' LEU . 21.8 m -122.37 126.77 48.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.406 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.595 ' N ' HD12 ' A' ' 97' ' ' ILE . 4.2 mp -112.57 89.76 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.651 ' CG ' ' CB ' ' A' ' 104' ' ' ALA . 42.3 m95 -75.01 162.5 28.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.165 . . . . 0.0 107.981 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 50' ' ' LYS . . . -103.12 145.63 29.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.0 t -39.95 -53.37 2.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.029 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -50.44 -52.88 26.75 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.456 1.098 . . . . 0.0 111.01 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.41 150.24 1.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 0.781 . . . . 0.0 109.259 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -88.71 40.79 3.06 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.536 1.148 . . . . 0.0 111.039 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.651 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -79.6 -170.48 2.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.753 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -144.68 121.99 11.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.476 ' NE2' ' HG3' ' A' ' 108' ' ' PRO . 19.5 t60 -55.62 93.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.606 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.94 69.13 76.62 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.03 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.607 ' HB3' HD21 ' A' ' 112' ' ' LEU . 18.4 Cg_endo -74.97 169.32 22.88 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.509 1.794 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.557 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.1 Cg_endo -75.04 -14.66 23.04 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.999 0.02 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.564 ' O ' HG23 ' A' ' 95' ' ' VAL . 42.0 p -57.05 -91.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.361 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -70.38 146.51 50.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.607 HD21 ' HB3' ' A' ' 108' ' ' PRO . 18.1 mt -143.15 165.67 26.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 53.3 t -133.91 127.58 52.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.729 ' HE1' ' HB3' ' A' ' 116' ' ' ALA . 7.7 t90 -91.18 100.45 13.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 108.01 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.1 -46.43 18.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.729 ' HB3' ' HE1' ' A' ' 114' ' ' TRP . . . -41.14 -44.81 2.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.564 ' HG3' ' CH2' ' A' ' 114' ' ' TRP . 38.1 mm-40 -102.94 173.26 6.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -113.98 -25.2 8.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 14.8 t -160.23 151.23 19.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 110.449 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.494 ' CE2' ' CG2' ' A' ' 52' ' ' VAL . 49.2 m95 -68.65 -44.22 74.6 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' GLY . . . . . 0.426 ' O ' ' ND2' ' A' ' 73' ' ' ASN . . . 131.88 102.67 0.88 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.531 1.145 . . . . 0.0 111.026 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 17.1 p -84.36 -168.68 2.27 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 118.46 166.57 13.7 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 29.1 p -62.52 -64.4 0.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.944 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.939 ' HA ' HG23 ' A' ' 144' ' ' VAL . 33.2 t -84.14 127.84 34.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.035 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -140.42 145.4 36.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 2.5 ttt-85 -142.27 113.32 7.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 23.6 m -111.8 163.65 13.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.398 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.708 ' HB3' ' HB2' ' A' ' 70' ' ' ARG . . . -160.69 163.81 32.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.24 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' A' ' 137' ' ' GLU . 13.5 tp -128.17 131.93 48.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.683 HD13 ' HA ' ' A' ' 137' ' ' GLU . 24.3 mm -113.26 148.32 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.143 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' ASN . . . . . 0.451 HD22 HG13 ' A' ' 138' ' ' VAL . 9.0 p30 -99.19 -172.47 2.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.352 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 132' ' ' ASN . 0.5 OUTLIER -37.53 -52.07 1.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.029 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 136' ' ' GLU . 71.1 p -86.2 158.22 19.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.399 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -67.29 63.06 0.24 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.543 1.152 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 134' ' ' THR . 18.6 tt0 -143.14 135.67 27.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 0.755 . . . . 0.0 110.327 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.683 ' HA ' HD13 ' A' ' 131' ' ' ILE . 2.2 tt0 -79.56 142.6 35.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 37' ' ' SER . 2.2 m -110.78 -34.2 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -143.97 154.59 43.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 24.1 ptm -134.05 148.21 51.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.417 ' NH2' ' HA ' ' A' ' 44' ' ' GLU . 1.8 tpt180 -141.16 98.54 3.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 142' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 33' ' ' HIS . 1.6 tmtt? -102.43 136.96 41.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.14 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.53 HD22 ' HB3' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -143.71 118.41 9.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.939 HG23 ' HA ' ' A' ' 125' ' ' SER . 8.9 p -124.68 149.73 29.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 35.9 ttt180 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 -179.971 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.495 ' HB2' ' HG3' ' A' ' 141' ' ' ARG . . . -100.89 161.99 13.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -165.0 112.85 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.298 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.415 HG21 ' HB2' ' A' ' 41' ' ' ALA . 0.9 OUTLIER -88.8 147.7 24.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 110.386 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.9 OUTLIER -156.12 82.23 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.013 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.04 -140.74 7.07 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.446 1.091 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.448 ' CG ' ' HB3' ' A' ' 58' ' ' SER . 9.3 mtm180 -97.03 -41.76 8.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 0.761 . . . . 0.0 110.255 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.517 HG12 ' N ' ' A' ' 41' ' ' ALA . 61.1 t -90.19 166.58 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.517 ' N ' HG12 ' A' ' 40' ' ' VAL . . . -152.09 136.4 16.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.464 ' CG1' HG23 ' A' ' 45' ' ' VAL . 16.5 t -66.09 86.24 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 42' ' ' VAL . 0.7 OUTLIER -37.8 -66.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.317 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -161.91 134.85 6.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.294 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.985 HG22 HG13 ' A' ' 52' ' ' VAL . 5.8 t -120.05 116.41 50.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.42 ' OD2' ' N ' ' A' ' 50' ' ' LYS . 21.5 t70 -54.24 116.13 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.408 ' HA ' HD13 ' A' ' 126' ' ' LEU . 2.8 pt-20 -54.97 -36.84 65.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -64.47 -20.35 66.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.325 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.413 ' N ' ' OD2' ' A' ' 46' ' ' ASP . . . 84.24 43.13 7.17 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.555 1.16 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.42 ' N ' ' OD2' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -87.16 -48.63 7.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 0.0 109.322 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.559 ' CD2' ' CZ3' ' A' ' 98' ' ' TRP . 24.0 p90 -156.01 166.73 32.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.985 HG13 HG22 ' A' ' 45' ' ' VAL . 45.5 t -121.83 113.07 37.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.28 114.43 26.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.789 HD11 ' CD1' ' A' ' 69' ' ' ILE . 5.6 mt -115.63 127.68 55.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.446 ' CZ ' ' HE2' ' A' ' 57' ' ' LYS . 0.6 OUTLIER -118.6 149.55 41.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.321 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -98.66 137.17 37.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.446 ' HE2' ' CZ ' ' A' ' 55' ' ' ARG . 1.2 mmtp -106.8 -23.75 12.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.473 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 77.3 p -62.64 151.42 38.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.975 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.439 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 1.5 p30 -81.67 -20.42 39.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -101.26 136.48 41.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.307 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -51.78 130.53 29.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.437 ' HG2' HG23 ' A' ' 40' ' ' VAL . 52.0 tp60 -98.67 114.73 27.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.267 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 74.7 m -74.69 126.23 30.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 110.042 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.406 ' SD ' ' HB2' ' A' ' 89' ' ' LEU . 22.7 mtp -115.06 43.14 2.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 111.033 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -84.33 54.97 4.98 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.447 1.092 . . . . 0.0 110.965 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.496 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 1.0 OUTLIER 156.17 -26.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 0.799 . . . . 0.0 109.298 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.411 ' O ' ' HB2' ' A' ' 83' ' ' PHE . 11.5 m0 -44.07 156.35 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 108.0 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.463 ' OE1' ' N ' ' A' ' 68' ' ' GLN . 1.0 OUTLIER -144.49 171.25 14.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.789 ' CD1' HD11 ' A' ' 54' ' ' LEU . 10.4 mt -129.36 123.48 58.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.254 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.52 ' HB2' ' HB3' ' A' ' 129' ' ' ALA . 26.6 mtt-85 -92.19 135.7 33.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.454 ' O ' HD12 ' A' ' 78' ' ' LEU . 0.7 OUTLIER -138.04 116.36 11.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.662 ' HB2' HD13 ' A' ' 78' ' ' LEU . 0.4 OUTLIER -139.69 86.79 2.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.302 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.485 ' HB3' HD23 ' A' ' 126' ' ' LEU . 55.5 m-20 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.662 HD13 ' HB2' ' A' ' 72' ' ' GLN . 9.8 tp . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.599 ' N ' HD12 ' A' ' 78' ' ' LEU . 1.2 mpp? -116.63 148.06 41.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 111.027 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 82.7 m -134.43 93.5 3.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.389 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.488 ' CE2' HD12 ' A' ' 97' ' ' ILE . 87.4 t80 -74.79 95.06 2.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.41 ' CD ' ' HG2' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -81.61 117.71 22.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.278 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.638 ' HZ ' HD11 ' A' ' 97' ' ' ILE . 21.7 m-85 -64.1 167.91 7.13 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.419 ' O ' ' HA2' ' A' ' 65' ' ' GLY . 18.4 Cg_endo -74.97 149.59 37.08 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.492 1.785 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.496 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.4 Cg_endo -75.02 4.14 5.01 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.546 1.814 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.06 48.33 2.12 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.563 ' CE1' HD11 ' A' ' 112' ' ' LEU . 12.2 t80 -128.1 142.1 51.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 111.026 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.8 m -141.05 116.58 10.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 110.414 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.406 ' HB2' ' SD ' ' A' ' 64' ' ' MET . 52.3 tp -91.65 91.78 8.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 89' ' ' LEU . 7.2 mtpt -44.49 167.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.473 ' HB1' ' O ' ' A' ' 58' ' ' SER . . . -78.25 128.98 34.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 81.46 9.68 85.49 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.475 1.11 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -93.04 177.1 6.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 110.286 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 11.9 p -148.83 157.07 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.4 p -143.77 136.07 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.417 HG21 ' CE2' ' A' ' 98' ' ' TRP . 23.7 m -108.46 132.75 53.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.391 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.638 HD11 ' HZ ' ' A' ' 83' ' ' PHE . 0.3 OUTLIER -110.66 79.8 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.559 ' CZ3' ' CD2' ' A' ' 51' ' ' PHE . 59.8 m95 -69.65 157.13 37.83 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.539 ' HB1' ' HA ' ' A' ' 119' ' ' THR . . . -106.74 139.38 41.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.5 t -40.72 -52.2 2.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.011 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -49.85 -41.94 37.0 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.504 1.128 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 99' ' ' ALA . . . -47.69 -62.18 1.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 104.11 28.23 5.93 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -77.55 -165.13 0.56 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 0.782 . . . . 0.0 109.341 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.01 127.75 48.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.4 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.477 ' CE1' HD23 ' A' ' 112' ' ' LEU . 14.7 t60 -68.05 93.41 0.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.582 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.18 75.96 59.96 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.994 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.538 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.2 Cg_endo -74.94 168.95 23.69 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.501 1.79 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.538 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -74.97 -18.41 18.76 Favored 'Cis proline' 0 C--N 1.359 1.13 0 C-N-CA 121.016 -2.493 . . . . 0.0 111.019 -0.039 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 37.4 p -54.35 -87.11 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.434 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.439 ' OD1' ' NE1' ' A' ' 98' ' ' TRP . 32.7 m-20 -67.4 136.34 54.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.563 HD11 ' CE1' ' A' ' 87' ' ' PHE . 15.6 mt -142.95 105.11 4.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 53.7 t -79.19 137.75 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.52 ' CD2' ' HB2' ' A' ' 117' ' ' GLN . 5.8 t90 -96.08 99.73 11.45 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.2 mttp -84.26 -43.67 14.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.351 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -44.53 -45.01 9.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.52 ' HB2' ' CD2' ' A' ' 114' ' ' TRP . 0.9 OUTLIER -100.4 173.52 6.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.265 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.598 ' OD1' HG22 ' A' ' 119' ' ' THR . 1.5 p30 -110.73 -20.09 12.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.103 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.598 HG22 ' OD1' ' A' ' 118' ' ' ASN . 10.2 t -167.06 165.0 15.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.4 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.405 ' CE2' HG23 ' A' ' 52' ' ' VAL . 34.4 m95 -87.5 -13.21 43.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 108.027 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 89.46 162.4 38.39 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.521 1.138 . . . . 0.0 111.034 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.49 ' HA ' ' CD2' ' A' ' 126' ' ' LEU . 1.5 p -164.39 -175.9 4.13 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 125' ' ' SER . . . 141.68 50.57 0.04 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.541 1.151 . . . . 0.0 110.99 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.456 ' CB ' ' HB3' ' A' ' 145' ' ' ARG . 1.5 t 65.7 -71.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 109.992 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.797 ' HA ' HG23 ' A' ' 144' ' ' VAL . 8.0 t -78.08 124.47 28.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.977 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.49 ' CD2' ' HA ' ' A' ' 122' ' ' CYS . 0.4 OUTLIER -134.94 154.13 51.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -157.43 91.61 1.17 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 110.302 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 19.0 m -96.42 147.97 23.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.391 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.52 ' HB3' ' HB2' ' A' ' 70' ' ' ARG . . . -143.06 159.83 41.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.506 HD23 HG23 ' A' ' 138' ' ' VAL . 12.2 tp -120.56 130.89 54.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.533 HG23 ' O ' ' A' ' 136' ' ' GLU . 26.0 mm -112.29 147.9 15.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' ASN . . . . . 0.814 ' OD1' HG22 ' A' ' 134' ' ' THR . 8.0 p30 -101.84 -169.48 1.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 132' ' ' ASN . 2.6 p -36.92 -57.19 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.019 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.814 HG22 ' OD1' ' A' ' 132' ' ' ASN . 3.7 t -82.1 160.3 23.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 110.402 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -68.74 59.67 0.5 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.554 1.159 . . . . 0.0 111.039 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' GLU . . . . . 0.533 ' O ' HG23 ' A' ' 131' ' ' ILE . 12.7 tt0 -137.84 146.93 44.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 0.786 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.522 ' HA ' HD13 ' A' ' 131' ' ' ILE . 13.8 tt0 -88.7 140.28 29.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.348 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.506 HG23 HD23 ' A' ' 130' ' ' LEU . 4.4 m -111.79 -28.54 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -147.72 161.4 41.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 26.3 ptm -144.66 156.33 44.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.964 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.495 ' HG3' ' HB2' ' A' ' 34' ' ' ALA . 4.1 ttt85 -148.91 88.82 1.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 142' ' ' LYS . . . . . 0.426 ' HG2' ' N ' ' A' ' 143' ' ' LEU . 10.1 tttt -85.61 150.69 24.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.426 ' N ' ' HG2' ' A' ' 142' ' ' LYS . 0.2 OUTLIER -160.87 114.0 1.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.245 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.797 HG23 ' HA ' ' A' ' 125' ' ' SER . 11.9 p -123.18 153.36 28.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 145' ' ' ARG . . . . . 0.456 ' HB3' ' CB ' ' A' ' 124' ' ' SER . 16.0 ttt85 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.318 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.755 ' NE2' HG23 ' A' ' 144' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.488 ' CB ' ' HA ' ' A' ' 141' ' ' ARG . . . -108.02 158.87 17.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -154.07 117.11 4.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.322 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -91.34 148.48 22.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.397 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 138' ' ' VAL . 3.2 m -156.16 82.46 0.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.013 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 160.0 -139.24 6.01 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.125 . . . . 0.0 110.99 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.495 ' HD3' ' CG ' ' A' ' 60' ' ' GLU . 5.3 mtm-85 -100.83 -41.26 6.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 0.753 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.539 HG23 ' HG2' ' A' ' 62' ' ' GLN . 68.2 t -95.58 158.18 3.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.143 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -141.07 153.16 45.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.791 ' HA ' HD23 ' A' ' 54' ' ' LEU . 98.3 t -77.28 88.88 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.99 -67.4 0.25 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -159.07 125.45 4.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.849 HG22 HG13 ' A' ' 52' ' ' VAL . 13.9 t -115.45 102.66 14.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -46.48 112.85 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.117 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.829 ' HB3' HD22 ' A' ' 143' ' ' LEU . 5.7 pt-20 -57.74 -38.68 75.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.39 -26.09 28.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.7 63.08 1.49 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.2 mtmm -117.62 -45.31 2.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 0.74 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.463 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 50.6 p90 -158.05 157.78 33.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.954 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.849 HG13 HG22 ' A' ' 45' ' ' VAL . 20.1 t -120.12 114.37 43.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.6 124.99 43.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.791 HD23 ' HA ' ' A' ' 42' ' ' VAL . 26.0 mt -117.96 129.76 55.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.2 ttm180 -119.26 154.68 33.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 37.2 t-20 -102.49 122.73 44.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.4 mmpt? -95.56 -28.27 14.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.571 1.17 . . . . 0.0 109.338 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.28 169.73 2.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.438 1.086 . . . . 0.0 110.016 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -110.25 17.09 21.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.495 ' CG ' ' HD3' ' A' ' 39' ' ' ARG . 2.2 pt-20 -132.16 127.38 35.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 110.334 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -44.93 114.28 0.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.539 ' HG2' HG23 ' A' ' 40' ' ' VAL . 50.4 tp60 -91.78 116.85 29.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.323 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.61 142.97 44.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.047 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.416 ' SD ' ' CE3' ' A' ' 67' ' ' TRP . 0.4 OUTLIER -134.68 34.84 3.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.502 ' CA ' ' HA ' ' A' ' 85' ' ' PRO . . . -78.85 56.38 4.26 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 1.0 OUTLIER 156.19 -25.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 109.313 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.436 ' CG ' ' HA ' ' A' ' 132' ' ' ASN . 13.4 m0 -44.29 163.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 108.022 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -148.28 170.89 16.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.956 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 4.0 mt -130.95 122.32 51.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.439 1.087 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.6 mtt-85 -96.13 139.08 32.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.26 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -140.68 116.53 10.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.474 ' HB2' HD13 ' A' ' 78' ' ' LEU . 16.3 tm0? -140.4 102.87 4.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.791 ' HB3' HD23 ' A' ' 126' ' ' LEU . 23.7 m-20 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.474 HD13 ' HB2' ' A' ' 72' ' ' GLN . 4.3 tp . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -106.1 143.71 33.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 43.8 m -123.42 91.19 3.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 110.393 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.574 ' HB2' ' CH2' ' A' ' 114' ' ' TRP . 62.0 t80 -73.29 95.08 2.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 111.032 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -78.8 117.76 20.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.335 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.956 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 22.0 m-85 -63.06 167.12 6.68 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.437 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.1 Cg_endo -75.04 146.95 33.11 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.499 1.789 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.502 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.3 Cg_endo -74.97 15.63 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.477 1.777 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.437 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.0 OUTLIER -135.21 40.88 2.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -124.93 150.02 47.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -154.91 114.41 3.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.376 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 36.8 tp -83.79 100.07 10.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.33 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.9 mtpt -51.3 171.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.75 126.0 30.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 79.35 10.32 86.09 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.439 1.087 . . . . 0.0 110.961 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -88.94 173.9 8.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 0.79 . . . . 0.0 110.243 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.7 p -146.52 157.17 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.1 p -145.42 147.65 18.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 28.6 m -122.65 126.08 46.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 110.414 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.558 ' N ' HD12 ' A' ' 97' ' ' ILE . 3.9 mp -113.47 83.84 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.495 ' CG ' ' CB ' ' A' ' 104' ' ' ALA . 46.1 m95 -64.68 161.22 18.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 107.98 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.822 ' HB2' ' CD1' ' A' ' 120' ' ' TRP . . . -103.14 139.32 38.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.509 ' H ' ' NE2' ' A' ' 117' ' ' GLN . 9.4 t -37.52 -47.95 0.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 109.955 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 118' ' ' ASN . . . -57.17 -48.17 81.97 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.528 1.142 . . . . 0.0 111.03 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 99' ' ' ALA . . . -40.63 -54.47 2.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 0.779 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 89.42 23.68 33.36 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.553 1.158 . . . . 0.0 111.017 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.495 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -60.07 -160.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 0.747 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -125.76 113.51 17.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.403 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.49 ' CE1' HD23 ' A' ' 112' ' ' LEU . 8.3 t60 -56.05 111.51 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.614 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.463 ' CB ' ' HB2' ' A' ' 111' ' ' ASP . 0.5 OUTLIER -144.52 66.29 13.58 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.981 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.546 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.1 Cg_endo -75.07 169.29 22.92 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.477 1.777 . . . . 0.0 111.015 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.546 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.4 Cg_endo -74.95 -13.41 23.52 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 120.995 -2.502 . . . . 0.0 111.058 -0.037 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 107' ' ' SER . 42.3 p -56.01 -74.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.385 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.463 ' HB2' ' CB ' ' A' ' 107' ' ' SER . 37.4 m-20 -83.41 150.3 26.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.49 HD23 ' CE1' ' A' ' 106' ' ' HIS . 28.2 mt -146.12 147.59 31.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 55.1 t -124.1 120.42 59.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.76 ' NE1' ' HB3' ' A' ' 116' ' ' ALA . 5.8 t90 -83.26 97.31 8.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 107.987 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 116' ' ' ALA . 7.9 mtmt -76.31 -45.23 33.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.76 ' HB3' ' NE1' ' A' ' 114' ' ' TRP . . . -36.81 -69.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.656 ' HG3' ' CG ' ' A' ' 114' ' ' TRP . 0.6 OUTLIER -76.2 175.28 9.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.273 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 101' ' ' GLY . 0.2 OUTLIER -115.35 -24.67 8.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 120' ' ' TRP . 6.5 t -160.59 123.07 3.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.422 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.822 ' CD1' ' HB2' ' A' ' 99' ' ' ALA . 32.4 m95 -40.79 -46.94 2.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 108.006 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 138.18 138.61 3.73 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.414 ' C ' HD21 ' A' ' 126' ' ' LEU . 1.4 p -120.99 -176.35 3.25 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.42 ' N ' HD21 ' A' ' 126' ' ' LEU . . . 124.62 153.18 8.51 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.514 1.134 . . . . 0.0 111.023 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 33.1 p -57.86 -31.05 66.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 0.793 . . . . 0.0 110.015 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 36.9 p -111.28 119.19 38.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.02 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.791 HD23 ' HB3' ' A' ' 73' ' ' ASN . 0.2 OUTLIER -135.02 156.3 49.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.29 112.83 2.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 11.4 m -108.16 153.03 23.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.383 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -146.6 158.68 43.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.455 HD23 HG23 ' A' ' 138' ' ' VAL . 14.2 tp -123.02 131.84 53.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.525 HD13 ' HA ' ' A' ' 137' ' ' GLU . 23.1 mm -113.56 150.24 15.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' ASN . . . . . 0.451 ' OD1' HG22 ' A' ' 134' ' ' THR . 13.1 p30 -102.74 -168.06 1.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.248 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.485 ' OG ' ' N ' ' A' ' 134' ' ' THR . 1.0 OUTLIER -36.24 -64.1 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 110.025 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.485 ' N ' ' OG ' ' A' ' 133' ' ' SER . 14.7 t -81.57 163.69 22.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.386 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -67.4 64.5 0.26 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 134' ' ' THR . 11.8 tt0 -140.07 133.13 29.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 110.279 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.525 ' HA ' HD13 ' A' ' 131' ' ' ILE . 3.9 tt0 -78.83 146.79 33.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 37' ' ' SER . 1.0 OUTLIER -116.43 -36.01 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -146.02 160.48 41.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 22.0 ptm -148.24 153.58 38.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.488 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 9.3 ttm180 -140.64 94.45 2.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 142' ' ' LYS . . . . . 0.519 ' HB3' ' CD2' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -83.83 158.48 21.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.361 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.829 HD22 ' HB3' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -155.67 107.73 2.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.755 HG23 ' NE2' ' A' ' 33' ' ' HIS . 21.2 t -115.98 118.89 60.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 110.324 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -100.06 160.17 14.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.23 106.16 1.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.309 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.503 HG21 ' HB2' ' A' ' 41' ' ' ALA . 0.9 OUTLIER -87.36 148.88 24.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.384 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.2 OUTLIER -156.11 82.2 1.0 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.999 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 161.81 -145.92 11.45 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.452 1.095 . . . . 0.0 111.036 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.457 ' NE ' ' CD ' ' A' ' 60' ' ' GLU . 7.1 mtm-85 -94.46 -44.61 7.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 0.782 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 75.2 t -93.79 153.19 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.658 ' HB3' ' CD ' ' A' ' 57' ' ' LYS . . . -139.21 149.93 44.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.674 ' CG1' HG23 ' A' ' 45' ' ' VAL . 66.4 t -72.16 85.97 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 42' ' ' VAL . 7.4 tm-20 -37.46 -64.73 0.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -159.15 132.76 7.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.314 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.821 HG22 HG13 ' A' ' 52' ' ' VAL . 6.9 t -124.56 115.53 44.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -58.01 117.28 4.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.506 ' O ' HD13 ' A' ' 126' ' ' LEU . 6.5 pt-20 -58.89 -39.11 80.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.103 . . . . 0.0 110.307 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.4 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -54.54 -27.63 39.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.31 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.23 59.6 1.74 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.512 1.132 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.686 ' HD2' ' HB1' ' A' ' 102' ' ' ALA . 0.5 OUTLIER -112.02 -43.63 3.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.275 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.574 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 41.9 p90 -158.31 157.8 33.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.821 HG13 HG22 ' A' ' 45' ' ' VAL . 42.0 t -119.45 117.01 52.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.15 127.58 49.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.683 ' O ' HG13 ' A' ' 94' ' ' VAL . 4.3 mt -124.02 142.74 50.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.511 ' CG ' HG22 ' A' ' 94' ' ' VAL . 26.9 ttp85 -131.74 148.76 52.6 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -100.95 111.22 23.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.658 ' CD ' ' HB3' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -77.5 -33.84 54.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 m -58.2 158.47 7.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.041 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -98.66 15.82 23.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.653 ' C ' ' HB2' ' A' ' 91' ' ' ALA . 2.4 pt-20 -119.59 154.68 33.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.345 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -72.37 115.05 11.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.408 ' CD ' ' CZ2' ' A' ' 67' ' ' TRP . 9.3 tp-100 -92.02 115.76 28.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.9 m -79.22 125.6 29.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.023 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.565 ' HA ' ' CD1' ' A' ' 67' ' ' TRP . 45.1 mtp -116.35 34.15 5.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.525 ' CA ' ' HA ' ' A' ' 85' ' ' PRO . . . -78.18 52.81 3.76 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.512 1.132 . . . . 0.0 111.026 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER 158.98 -26.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 0.741 . . . . 0.0 109.279 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.565 ' CD1' ' HA ' ' A' ' 64' ' ' MET . 11.0 m0 -42.05 157.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.496 ' O ' HD12 ' A' ' 130' ' ' LEU . 2.2 mp0 -143.16 167.15 22.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.353 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.933 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 2.5 mt -129.41 121.47 53.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.597 HH21 HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -95.89 134.29 39.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.239 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.506 ' CZ ' ' O ' ' A' ' 120' ' ' TRP . 9.9 tpt180 -129.99 118.46 21.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.437 ' CB ' ' HG ' ' A' ' 78' ' ' LEU . 13.3 tm0? -125.6 126.36 44.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.448 ' ND2' ' C ' ' A' ' 121' ' ' GLY . 1.9 m120 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.597 HD13 HH21 ' A' ' 70' ' ' ARG . 1.6 tt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.43 ' N ' HD23 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -104.96 147.73 27.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 38.0 m -131.19 99.08 4.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.392 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.509 ' CE2' HG21 ' A' ' 97' ' ' ILE . 88.1 t80 -85.61 93.41 8.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.59 117.22 20.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.933 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 26.9 m-85 -63.15 165.93 9.51 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.964 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.49 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.3 Cg_endo -75.04 145.38 31.24 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.544 1.813 . . . . 0.0 110.979 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.525 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.3 Cg_endo -74.98 21.98 0.42 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.491 1.785 . . . . 0.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.49 ' H ' ' C ' ' A' ' 84' ' ' PRO . 1.3 mmmp? -138.81 37.13 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -128.86 140.46 51.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.82 112.55 7.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 110.404 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 90' ' ' LYS . 40.2 tp -80.4 95.78 6.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 89' ' ' LEU . 8.2 mtpt -47.62 173.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.653 ' HB2' ' C ' ' A' ' 60' ' ' GLU . . . -82.41 136.94 34.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.87 2.94 58.52 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -86.98 176.31 7.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 0.796 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.683 HG13 ' O ' ' A' ' 54' ' ' LEU . 18.0 t -149.29 143.65 18.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 110' ' ' THR . 3.3 p -130.13 140.76 48.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 112' ' ' LEU . 56.1 m -116.13 133.91 55.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.396 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.509 HG21 ' CE2' ' A' ' 81' ' ' TYR . 4.3 mp -119.7 86.01 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.574 ' CE3' ' HB3' ' A' ' 51' ' ' PHE . 47.8 m95 -71.08 167.47 19.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 108.008 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 100' ' ' SER . . . -105.71 145.32 31.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 99' ' ' ALA . 4.1 t -38.06 -45.8 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.998 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -104.71 73.8 0.24 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.483 1.114 . . . . 0.0 110.981 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.686 ' HB1' ' HD2' ' A' ' 50' ' ' LYS . . . -152.22 23.35 0.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 41.49 42.74 3.59 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.512 1.132 . . . . 0.0 110.953 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.555 ' CB ' ' CB ' ' A' ' 98' ' ' TRP . . . -96.17 -176.45 3.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 0.765 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -142.05 112.34 7.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.407 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.573 ' CE1' HD23 ' A' ' 112' ' ' LEU . 7.7 t60 -52.57 109.69 0.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.572 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.47 ' CB ' ' HB2' ' A' ' 111' ' ' ASP . 0.3 OUTLIER -140.34 66.41 29.94 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.545 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.1 Cg_endo -75.02 169.13 23.29 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.538 1.81 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.545 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -74.98 -11.0 24.22 Favored 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 121.047 -2.48 . . . . 0.0 111.013 0.035 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.503 ' O ' HG23 ' A' ' 95' ' ' VAL . 33.3 p -59.96 -85.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 110.417 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.47 ' HB2' ' CB ' ' A' ' 107' ' ' SER . 26.5 m-20 -74.66 146.98 41.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.573 HD23 ' CE1' ' A' ' 106' ' ' HIS . 22.9 mt -140.38 161.29 38.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 46.9 t -128.67 128.72 68.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.58 ' NE1' ' HB3' ' A' ' 116' ' ' ALA . 4.8 t90 -87.33 107.86 18.71 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.32 -36.23 16.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.58 ' HB3' ' NE1' ' A' ' 114' ' ' TRP . . . -54.89 -48.56 72.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.487 ' HB2' ' CD2' ' A' ' 114' ' ' TRP . 0.7 OUTLIER -100.13 172.97 6.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -113.45 -19.83 11.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.603 HG23 ' H ' ' A' ' 121' ' ' GLY . 10.5 t -158.81 166.74 31.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.416 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.506 ' O ' ' CZ ' ' A' ' 71' ' ' ARG . 54.6 m95 -94.95 34.88 1.31 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 108.007 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' GLY . . . . . 0.603 ' H ' HG23 ' A' ' 119' ' ' THR . . . 67.2 146.23 0.09 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 1.5 p -128.97 -175.11 3.45 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 119.08 157.98 10.55 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.525 1.141 . . . . 0.0 110.96 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 145' ' ' ARG . 4.2 p -56.08 -49.08 74.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 0.752 . . . . 0.0 109.967 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.944 ' HA ' HG23 ' A' ' 144' ' ' VAL . 4.3 m -94.18 125.14 38.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.031 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.506 HD13 ' O ' ' A' ' 47' ' ' GLU . 0.8 OUTLIER -134.31 155.48 50.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.19 123.35 5.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.301 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 51.8 m -119.64 153.23 35.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.379 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -153.08 158.78 42.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.496 HD12 ' O ' ' A' ' 68' ' ' GLN . 13.9 tp -122.41 129.7 52.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.491 HD13 ' O ' ' A' ' 130' ' ' LEU . 20.5 mm -113.61 122.51 67.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.273 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 133' ' ' SER . 9.9 p30 -74.74 -174.25 2.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.241 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 132' ' ' ASN . 1.0 OUTLIER -35.13 -61.18 0.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.959 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 136' ' ' GLU . 51.8 p -76.91 160.11 29.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.42 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -68.41 59.49 0.44 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.478 1.111 . . . . 0.0 111.053 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 134' ' ' THR . 12.5 tt0 -137.24 140.46 41.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 0.771 . . . . 0.0 110.277 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.431 ' HA ' ' O ' ' A' ' 130' ' ' LEU . 24.9 tt0 -83.88 145.04 28.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 37' ' ' SER . 1.6 m -114.16 -39.05 2.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -144.66 162.78 35.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 15.6 ptm -146.64 153.37 40.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 20.8 ttm-85 -141.81 93.08 2.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -88.69 149.02 23.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -158.2 114.86 2.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.944 HG23 ' HA ' ' A' ' 125' ' ' SER . 5.3 p -123.44 153.2 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 145' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 124' ' ' SER . 64.3 ttt180 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.301 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.46 ' CB ' ' HA ' ' A' ' 141' ' ' ARG . . . -101.61 157.82 16.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -155.75 110.56 2.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.9 147.12 28.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 110.414 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.2 OUTLIER -156.25 81.78 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.977 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.38 -131.81 2.84 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -107.66 -40.84 5.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 0.77 . . . . 0.0 110.33 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.518 HG12 ' N ' ' A' ' 41' ' ' ALA . 99.3 t -91.53 166.33 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.518 ' N ' HG12 ' A' ' 40' ' ' VAL . . . -152.31 137.65 17.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.521 ' CG1' HG23 ' A' ' 45' ' ' VAL . 41.9 t -66.28 89.31 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.77 -67.57 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.273 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -158.96 133.97 8.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.757 HG22 HG13 ' A' ' 52' ' ' VAL . 11.4 t -123.09 121.07 62.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.52 ' CG ' ' CE1' ' A' ' 51' ' ' PHE . 5.5 m-20 -57.93 116.46 3.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.648 ' HB3' HD22 ' A' ' 143' ' ' LEU . 6.9 pt-20 -48.98 -40.24 29.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.286 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -62.68 -37.36 86.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.472 ' CA ' ' HB2' ' A' ' 120' ' ' TRP . . . 101.37 38.19 3.34 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.99 -38.04 23.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 0.767 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.52 ' CE1' ' CG ' ' A' ' 46' ' ' ASP . 43.8 p90 -162.35 159.51 25.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.757 HG13 HG22 ' A' ' 45' ' ' VAL . 42.4 t -123.22 115.6 46.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -100.5 122.98 44.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.805 HD11 ' CD1' ' A' ' 69' ' ' ILE . 6.0 mt -116.73 135.61 53.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -123.5 151.19 43.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 110.288 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -103.26 129.26 50.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -102.67 -15.8 16.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.629 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 45.0 t -66.47 170.56 5.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.018 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.473 ' C ' ' CB ' ' A' ' 91' ' ' ALA . 2.9 p30 -101.41 -25.19 14.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -100.13 137.04 39.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -46.03 138.69 4.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.321 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 89' ' ' LEU . 9.8 tp-100 -103.97 119.17 38.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.281 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 39.6 p -82.18 117.68 22.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.991 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.438 ' HE2' ' CD2' ' A' ' 83' ' ' PHE . 20.4 mtp -112.59 45.38 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -86.93 55.43 4.62 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.533 1.145 . . . . 0.0 110.974 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.512 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 1.1 m-20 154.9 -23.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.762 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.412 ' O ' ' O ' ' A' ' 66' ' ' ASN . 11.1 m0 -44.45 165.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.456 ' O ' HD12 ' A' ' 130' ' ' LEU . 3.7 mt-30 -152.07 169.07 23.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.805 ' CD1' HD11 ' A' ' 54' ' ' LEU . 8.4 mt -129.58 125.75 61.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.497 ' CZ ' HD21 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -99.69 135.98 40.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.469 ' HB3' ' CG ' ' A' ' 79' ' ' MET . 4.8 tpp180 -134.97 104.43 5.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.87 141.15 36.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.137 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.497 HD21 ' CZ ' ' A' ' 70' ' ' ARG . 16.3 tp . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.625 ' SD ' ' CH2' ' A' ' 114' ' ' TRP . 17.1 ptp -112.83 151.21 30.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 57.4 m -132.83 97.35 4.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.407 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.585 ' HB2' ' CH2' ' A' ' 114' ' ' TRP . 77.9 t80 -75.99 96.35 3.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.5 ttt180 -80.06 128.62 33.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.271 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.573 ' CE2' HD11 ' A' ' 69' ' ' ILE . 14.6 m-85 -76.33 166.14 47.3 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.509 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.2 Cg_endo -75.0 146.49 32.69 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.55 1.816 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.486 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.4 Cg_endo -74.98 23.83 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.463 1.77 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.509 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.0 OUTLIER -142.05 30.03 1.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -113.24 151.06 31.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.2 m -155.0 113.16 3.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.459 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 62' ' ' GLN . 49.1 tp -86.44 95.81 9.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.0 mtpt -48.47 164.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.629 ' HB1' ' O ' ' A' ' 58' ' ' SER . . . -76.84 133.72 39.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.86 6.34 87.12 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -95.07 173.27 7.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 0.768 . . . . 0.0 110.284 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.1 p -141.93 158.66 20.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 110' ' ' THR . 14.1 p -144.78 149.67 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 33.5 m -122.74 131.04 53.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 110.368 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.497 ' N ' HD12 ' A' ' 97' ' ' ILE . 4.6 mp -116.59 79.78 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.486 ' CG ' ' CB ' ' A' ' 104' ' ' ALA . 53.7 m95 -64.5 160.62 18.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 107.979 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 102' ' ' ALA . . . -108.51 139.6 43.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 99' ' ' ALA . 4.6 t -36.4 -54.64 0.84 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.995 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 118' ' ' ASN . . . -47.98 -46.82 26.31 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.52 1.137 . . . . 0.0 111.068 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 99' ' ' ALA . . . -47.12 -57.84 4.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 93.16 22.9 26.2 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.486 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -58.88 -160.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -125.53 116.36 21.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 110.388 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.454 ' CE1' HD23 ' A' ' 112' ' ' LEU . 11.8 t60 -58.4 111.4 1.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 109.601 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.501 ' CB ' ' HB2' ' A' ' 111' ' ' ASP . 0.3 OUTLIER -142.73 68.8 19.58 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.028 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.538 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.4 Cg_endo -75.0 169.38 22.75 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.538 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.2 Cg_endo -75.0 -10.85 24.25 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 121.011 -2.495 . . . . 0.0 111.006 -0.006 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.731 ' O ' HG23 ' A' ' 95' ' ' VAL . 33.0 p -59.75 -82.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.412 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.501 ' HB2' ' CB ' ' A' ' 107' ' ' SER . 71.3 m-20 -72.03 147.71 46.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.481 ' CD2' ' HB3' ' A' ' 108' ' ' PRO . 45.7 mt -146.23 144.89 30.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 40.6 t -119.9 116.27 49.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.247 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.743 ' HE1' ' HB3' ' A' ' 116' ' ' ALA . 6.1 t90 -82.02 103.27 11.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 108.019 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.465 ' O ' ' C ' ' A' ' 116' ' ' ALA . 35.2 mttt -82.89 -47.1 12.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.743 ' HB3' ' HE1' ' A' ' 114' ' ' TRP . . . -35.19 -51.49 0.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.658 ' HG3' ' CG ' ' A' ' 114' ' ' TRP . 0.7 OUTLIER -98.63 176.03 5.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.31 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 101' ' ' GLY . 0.9 OUTLIER -116.64 -30.79 5.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.158 . . . . 0.0 109.285 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 9.3 t -152.98 127.95 9.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 110.411 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.487 ' CE2' ' CG2' ' A' ' 52' ' ' VAL . 40.0 m95 -43.76 -42.79 5.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 107.986 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 133.78 115.33 1.58 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.454 1.097 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 2.7 m -93.78 -179.2 4.92 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 130.75 155.2 8.17 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.532 1.145 . . . . 0.0 110.984 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 90.4 p -61.72 -43.43 98.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.988 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 43.0 t -99.63 117.25 33.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.013 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.515 HD13 ' O ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -135.13 150.65 50.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.411 1.07 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -154.21 104.22 2.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.264 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 18.6 m -96.07 163.71 13.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.428 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ALA . . . . . 0.433 ' HB1' ' OE2' ' A' ' 137' ' ' GLU . . . -159.24 162.75 36.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' LEU . . . . . 0.528 HD23 HG23 ' A' ' 138' ' ' VAL . 13.5 tp -126.06 133.34 51.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.243 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.649 HD13 ' HA ' ' A' ' 137' ' ' GLU . 32.0 mm -116.5 147.49 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' ASN . . . . . 0.496 HD22 HG13 ' A' ' 138' ' ' VAL . 14.5 p30 -97.34 -171.63 2.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.43 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . 0.0 OUTLIER -41.53 -48.12 3.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.98 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 134' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 136' ' ' GLU . 15.4 p -89.11 157.93 18.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.38 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -66.5 64.57 0.17 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.524 1.14 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 134' ' ' THR . 10.2 tt0 -143.96 138.02 28.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 0.785 . . . . 0.0 110.313 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.649 ' HA ' HD13 ' A' ' 131' ' ' ILE . 6.8 tt0 -81.69 146.09 30.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.528 HG23 HD23 ' A' ' 130' ' ' LEU . 0.9 OUTLIER -116.25 -37.54 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -141.12 158.35 44.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 18.1 ptm -139.82 151.85 46.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 111.029 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.46 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 13.8 ttm-85 -141.5 84.58 1.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 142' ' ' LYS . . . . . 0.487 ' O ' HD12 ' A' ' 143' ' ' LEU . 62.9 tttt -79.41 152.24 30.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.648 HD22 ' HB3' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -158.03 118.54 3.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.345 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 2.6 t -127.54 126.89 68.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 25.9 ttt180 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 110.292 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.1 p -176.27 159.03 1.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 110.005 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -176.57 163.58 2.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.015 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.17 -155.14 25.95 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.445 1.091 . . . . 0.0 110.94 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.4 t 67.15 147.94 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 110.0 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.88 148.97 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.016 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.55 118.25 1.24 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -169.65 135.13 1.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 0.743 . . . . 0.0 110.312 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.7 t -178.97 113.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.001 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -162.72 152.16 15.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 164.57 159.51 11.21 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.43 1.081 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 164.64 135.16 1.77 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 141.69 136.23 3.23 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 t -166.86 165.77 15.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 0.79 . . . . 0.0 110.008 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 95.9 t -122.44 104.89 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.521 HG22 ' HD3' ' A' ' 17' ' ' LYS . 40.0 m -122.32 144.72 48.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.427 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.521 ' HD3' HG22 ' A' ' 16' ' ' THR . 0.0 OUTLIER 64.85 163.49 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.315 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.23 49.68 1.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.9 mtt-85 62.81 91.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 66.17 178.0 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -165.9 108.99 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.25 -69.67 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.6 t 61.49 100.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.977 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.75 176.92 4.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 110.041 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 61.88 137.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.2 -56.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 110.009 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.7 ttp85 -144.92 164.73 30.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 110.256 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.0 t -141.98 113.44 7.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.022 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 30' ' ' PHE . 2.2 m -116.95 86.26 2.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.998 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.599 ' CE2' ' CD ' ' A' ' 47' ' ' GLU . 8.5 m-30 58.83 149.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.981 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.472 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 5.7 t -68.23 70.99 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.016 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.493 ' O ' ' CG ' ' A' ' 33' ' ' HIS . 51.9 mt-30 -44.74 152.22 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.493 ' CG ' ' O ' ' A' ' 32' ' ' GLN . 64.4 m-70 -160.55 79.23 0.64 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.622 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -103.25 158.35 16.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.71 99.79 1.88 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.127 . . . . 0.0 110.28 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -79.07 148.11 32.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.418 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.2 OUTLIER -156.25 82.16 0.99 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.988 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 157.77 -133.76 3.64 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.47 ' CG ' ' HB3' ' A' ' 58' ' ' SER . 4.4 mtm180 -108.1 -41.12 5.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 0.802 . . . . 0.0 110.321 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.4 t -91.42 144.29 9.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -132.96 143.37 49.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.938 ' HA ' HD23 ' A' ' 54' ' ' LEU . 59.9 t -70.49 88.38 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -40.39 -67.23 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.272 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -159.77 132.39 6.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.319 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.824 HG22 HG13 ' A' ' 52' ' ' VAL . 8.0 t -120.95 112.29 35.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -53.32 118.62 3.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.599 ' CD ' ' CE2' ' A' ' 30' ' ' PHE . 5.0 pt-20 -53.88 -37.43 63.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -62.57 -24.72 67.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.284 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.23 33.04 12.38 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.503 1.127 . . . . 0.0 111.052 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.3 mtmm -77.87 -44.42 27.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 0.747 . . . . 0.0 109.327 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.557 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 48.3 p90 -158.34 160.42 36.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.824 HG13 HG22 ' A' ' 45' ' ' VAL . 46.6 t -121.92 112.97 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.95 121.18 37.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.938 HD23 ' HA ' ' A' ' 42' ' ' VAL . 31.2 mt -117.41 129.47 55.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.422 ' CZ ' ' HE2' ' A' ' 57' ' ' LYS . 0.5 OUTLIER -121.25 150.06 41.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -96.78 142.85 28.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.422 ' HE2' ' CZ ' ' A' ' 55' ' ' ARG . 5.7 mmtt -110.04 -25.31 10.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.47 ' HB3' ' CG ' ' A' ' 39' ' ' ARG . 62.2 p -64.53 169.14 5.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.982 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.464 ' HA ' ' HB1' ' A' ' 91' ' ' ALA . 4.2 p30 -105.31 -11.39 16.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.157 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 61' ' ' ASP . 7.2 mt-10 -105.22 126.2 51.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.447 ' OD2' ' CE ' ' A' ' 90' ' ' LYS . 0.2 OUTLIER -40.35 127.68 2.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 89' ' ' LEU . 56.1 tp60 -99.48 128.73 45.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.33 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 74.3 p -91.31 124.07 35.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.996 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.588 ' HA ' ' CD1' ' A' ' 67' ' ' TRP . 0.3 OUTLIER -116.96 45.36 1.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.516 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -86.18 58.15 4.75 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.446 1.091 . . . . 0.0 111.056 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.516 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 1.1 m-20 154.62 -23.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 0.77 . . . . 0.0 109.332 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.588 ' CD1' ' HA ' ' A' ' 64' ' ' MET . 11.8 m0 -43.88 163.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 131' ' ' ILE . 5.9 mt-30 -151.86 167.04 29.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.797 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 4.0 mt -127.62 122.56 59.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.3 mtt-85 -91.3 121.26 32.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.416 1.073 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.72 ' O ' HD12 ' A' ' 78' ' ' LEU . 17.3 tpt180 -116.85 112.13 20.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 110.28 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.539 ' HB2' HD13 ' A' ' 78' ' ' LEU . 0.4 OUTLIER -130.43 110.26 11.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.292 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.643 ' HB3' HD23 ' A' ' 126' ' ' LEU . 1.8 m-20 -127.41 137.72 52.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 37.64 -156.33 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.115 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -88.88 77.72 7.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 0.785 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.441 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 0.1 OUTLIER -138.53 175.12 3.56 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.441 ' CD ' ' CB ' ' A' ' 76' ' ' ASP . 18.2 Cg_endo -75.03 113.51 3.81 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.456 1.767 . . . . 0.0 110.979 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.72 HD12 ' O ' ' A' ' 71' ' ' ARG . 6.9 tp -61.67 124.6 21.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.424 ' HE3' ' HG3' ' A' ' 117' ' ' GLN . 1.5 mpp? -107.03 130.45 54.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 16.9 m -110.42 95.2 5.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.369 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -72.0 97.32 1.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 111.011 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -80.67 118.13 21.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.137 . . . . 0.0 110.31 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.797 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 17.7 m-85 -63.61 167.69 6.74 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 18.3 Cg_endo -74.99 148.78 35.81 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.464 1.771 . . . . 0.0 110.982 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.497 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.2 Cg_endo -75.0 4.65 4.55 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.51 1.795 . . . . 0.0 111.03 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.53 50.14 2.04 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -128.72 143.76 51.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.6 m -143.67 112.21 6.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.44 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 62' ' ' GLN . 47.9 tp -87.52 93.61 9.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.447 ' CE ' ' OD2' ' A' ' 61' ' ' ASP . 12.7 mtpt -47.34 168.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.464 ' HB1' ' HA ' ' A' ' 59' ' ' ASN . . . -76.6 135.59 39.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 70.65 7.5 61.45 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.77 173.36 10.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 0.753 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.1 p -145.21 155.9 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.256 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 110' ' ' THR . 10.3 p -144.31 147.12 19.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 112' ' ' LEU . 21.6 m -122.12 122.98 40.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.386 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.545 ' N ' HD12 ' A' ' 97' ' ' ILE . 4.0 mp -108.25 84.72 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.347 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.557 ' CE3' ' HB3' ' A' ' 51' ' ' PHE . 69.7 m95 -69.24 164.37 22.89 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.683 ' HB1' ' HA ' ' A' ' 119' ' ' THR . . . -105.66 145.2 31.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.257 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 99' ' ' ALA . 1.8 t -38.4 -55.03 1.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.013 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -95.55 75.79 0.85 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.506 1.129 . . . . 0.0 110.951 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 103' ' ' GLY . . . -156.81 25.79 0.33 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 0.77 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 102' ' ' ALA . . . 36.58 53.28 1.4 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.463 1.102 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.448 ' CB ' ' HB3' ' A' ' 98' ' ' TRP . . . -101.35 -168.0 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.775 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -149.49 107.45 3.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.409 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.563 ' CE1' HD23 ' A' ' 112' ' ' LEU . 7.1 t60 -48.74 107.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.598 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.472 ' CB ' ' HB2' ' A' ' 111' ' ' ASP . 0.4 OUTLIER -139.31 65.46 34.88 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.036 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.531 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.1 Cg_endo -75.04 168.87 23.85 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.525 1.803 . . . . 0.0 110.977 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.531 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.4 Cg_endo -74.95 -14.82 22.76 Favored 'Cis proline' 0 C--N 1.359 1.125 0 C-N-CA 121.061 -2.475 . . . . 0.0 111.003 -0.017 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.576 ' O ' HG23 ' A' ' 95' ' ' VAL . 68.0 p -55.68 -81.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 110.415 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.48 ' N ' ' OG1' ' A' ' 110' ' ' THR . 5.4 m-20 -79.48 149.14 31.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.563 HD23 ' CE1' ' A' ' 106' ' ' HIS . 24.7 mt -140.56 163.55 32.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.466 HG23 ' HA ' ' A' ' 106' ' ' HIS . 53.4 t -132.34 112.89 20.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.51 ' NE1' ' HB3' ' A' ' 116' ' ' ALA . 6.8 t90 -75.32 97.19 3.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 107.982 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.83 -46.34 18.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.51 ' HB3' ' NE1' ' A' ' 114' ' ' TRP . . . -39.93 -56.07 1.89 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.504 ' HB2' ' CE2' ' A' ' 114' ' ' TRP . 2.3 mm-40 -90.14 176.17 6.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.342 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.444 ' OD1' HG22 ' A' ' 119' ' ' THR . 1.2 p30 -109.81 -22.68 11.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.683 ' HA ' ' HB1' ' A' ' 99' ' ' ALA . 14.2 t -174.9 143.85 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.406 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 70.3 m95 -54.13 -46.06 72.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 107.985 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 132.07 142.2 4.88 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 2.9 m -111.4 -176.39 2.93 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 126.33 158.63 9.96 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.477 1.111 . . . . 0.0 111.038 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 4.6 p -59.45 -53.04 62.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 0.743 . . . . 0.0 109.993 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.5 m -95.02 125.07 39.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.949 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.643 HD23 ' HB3' ' A' ' 73' ' ' ASN . 0.3 OUTLIER -134.89 151.21 50.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.409 ' CB ' ' O ' ' A' ' 72' ' ' GLN . 7.1 ttt-85 -139.12 121.04 15.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.32 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.425 HG21 HG21 ' A' ' 45' ' ' VAL . 24.1 m -131.62 114.31 14.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.405 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -122.33 162.82 20.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.473 HD23 HG23 ' A' ' 138' ' ' VAL . 14.3 tp -115.85 127.83 55.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.526 HD13 ' HA ' ' A' ' 137' ' ' GLU . 26.5 mm -114.83 116.48 52.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.579 HD22 HG13 ' A' ' 138' ' ' VAL . 16.0 p30 -66.08 -174.15 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 132' ' ' ASN . 0.0 OUTLIER -37.48 -61.67 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.031 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 136' ' ' GLU . 70.7 p -75.07 161.3 29.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.419 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -68.49 58.64 0.46 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 134' ' ' THR . 18.7 tt0 -136.41 136.95 39.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 0.746 . . . . 0.0 110.271 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.526 ' HA ' HD13 ' A' ' 131' ' ' ILE . 4.6 tt0 -84.77 139.44 31.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.579 HG13 HD22 ' A' ' 132' ' ' ASN . 1.6 m -109.15 -40.29 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -140.01 146.45 39.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.26 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 19.8 ptm -128.78 152.18 48.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.417 ' HD3' ' CG1' ' A' ' 42' ' ' VAL . 0.8 OUTLIER -146.97 95.26 2.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.568 ' O ' HD12 ' A' ' 143' ' ' LEU . 32.5 tttt -98.8 153.17 18.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.568 HD12 ' O ' ' A' ' 142' ' ' LYS . 0.3 OUTLIER -148.06 123.79 10.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 31' ' ' SER . 11.7 t -125.28 123.76 65.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ARG . . . . . 0.57 ' HA ' ' CD1' ' A' ' 30' ' ' PHE . 27.3 ttt85 -77.46 144.97 37.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.275 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.67 78.78 3.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.025 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -93.39 -177.67 40.12 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.544 1.152 . . . . 0.0 110.991 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 154.63 42.49 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.521 1.801 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.2 t -90.79 151.06 21.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 110.007 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 78.3 p -66.8 128.67 37.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.026 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.462 1.101 . . . . 0.0 110.979 -179.947 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.24 141.23 58.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 0.778 . . . . 0.0 110.006 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.23 164.32 13.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.955 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.92 166.83 38.72 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.534 1.147 . . . . 0.0 110.971 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.32 147.88 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 0.0 109.983 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -176.35 156.37 1.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.965 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.82 161.33 24.91 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.524 1.14 . . . . 0.0 111.026 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -158.66 124.88 4.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 0.773 . . . . 0.0 110.339 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.2 t -68.6 122.59 18.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 110.059 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -66.63 148.62 51.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 133.27 93.55 0.52 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.134 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -114.29 -134.62 5.84 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 53.0 65.67 3.22 Favored Glycine 0 CA--C 1.529 0.953 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.2 p -102.35 163.07 12.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 0.741 . . . . 0.0 109.936 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.8 t -98.01 92.26 2.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.113 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.409 ' O ' HG23 ' A' ' 16' ' ' THR . 9.0 t -85.13 117.64 24.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.401 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.1 155.89 0.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.26 135.26 39.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.25 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.85 87.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.469 1.106 . . . . 0.0 110.298 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -64.6 141.01 58.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.081 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -137.21 153.57 50.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.92 114.38 18.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.25 146.39 46.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.32 114.91 2.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.979 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -61.63 143.82 55.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.14 . . . . 0.0 110.296 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.7 t 57.22 107.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 109.99 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.1 ttt85 64.92 121.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.147 . . . . 0.0 110.308 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.3 p -116.78 -54.7 2.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.408 ' O ' ' O ' ' A' ' 30' ' ' PHE . 19.4 m 47.42 94.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.584 ' CD1' ' HA ' ' A' ' 145' ' ' ARG . 8.8 m-30 58.14 153.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 144' ' ' VAL . 3.8 t -69.5 68.32 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -45.86 141.5 3.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.268 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -149.56 74.3 1.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.653 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.503 ' HB2' ' HG3' ' A' ' 141' ' ' ARG . . . -97.62 161.69 13.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -164.12 115.92 1.34 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -92.91 146.78 23.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.394 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 138' ' ' VAL . 4.8 m -156.14 81.91 0.99 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.003 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.25 -138.0 5.43 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.435 ' CZ ' HE22 ' A' ' 62' ' ' GLN . 32.5 mtm180 -102.25 -42.44 6.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.762 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 95.6 t -91.66 152.39 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 43' ' ' GLU . . . -139.01 132.98 31.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.62 ' CG1' HG23 ' A' ' 45' ' ' VAL . 81.1 t -58.72 86.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -38.68 -59.88 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.308 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -168.2 128.02 1.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.637 HG22 HG13 ' A' ' 52' ' ' VAL . 9.0 t -118.0 111.81 35.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -55.64 113.08 1.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.74 ' HB3' HD22 ' A' ' 143' ' ' LEU . 4.5 pt-20 -54.63 -34.23 61.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.438 1.086 . . . . 0.0 110.281 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.428 ' HA ' ' SG ' ' A' ' 122' ' ' CYS . 2.8 mt-10 -57.48 -26.29 61.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.314 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.431 ' CA ' ' HB2' ' A' ' 120' ' ' TRP . . . 86.85 45.07 5.55 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 99' ' ' ALA . 7.0 mtmm -98.18 -51.34 4.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.556 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 45.3 p90 -150.8 155.48 39.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.969 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.637 HG13 HG22 ' A' ' 45' ' ' VAL . 3.8 t -118.12 112.95 40.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.443 ' HG3' HG23 ' A' ' 96' ' ' THR . 0.1 OUTLIER -95.13 127.92 41.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.272 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' A' ' 42' ' ' VAL . 12.0 mt -124.76 127.08 46.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.8 ttp180 -120.35 148.01 44.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 58' ' ' SER . 40.2 t-20 -93.77 139.71 30.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.426 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 9.3 mmtt -108.56 -35.09 6.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.467 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 2.3 t -62.42 172.29 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.977 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.428 ' HA ' ' HB1' ' A' ' 91' ' ' ALA . 4.3 p30 -102.46 -17.58 15.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.264 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -92.36 123.16 35.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -46.32 125.31 6.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.435 HE22 ' CZ ' ' A' ' 39' ' ' ARG . 7.4 tp-100 -91.07 128.28 36.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 10.3 m -93.58 117.65 30.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.99 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.547 ' HA ' ' CD1' ' A' ' 67' ' ' TRP . 6.4 mtp -109.09 42.79 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.543 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -84.85 56.15 5.0 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.543 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 1.3 m-20 153.11 -22.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.547 ' CD1' ' HA ' ' A' ' 64' ' ' MET . 12.1 m0 -45.08 167.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 107.987 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -149.33 169.82 19.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.268 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 1.034 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 6.1 mt -129.76 116.63 38.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.549 ' CZ ' HD21 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -92.89 115.56 28.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.249 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -113.75 102.56 10.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.756 ' HB2' HD13 ' A' ' 78' ' ' LEU . 3.3 tp-100 -105.35 131.99 52.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.267 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.434 ' N ' ' OE1' ' A' ' 72' ' ' GLN . 82.6 m-20 -132.56 148.44 52.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.89 149.18 47.25 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 40.78 55.42 3.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 0.797 . . . . 0.0 109.273 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -168.8 159.65 8.2 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 149.57 36.79 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.463 1.77 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.756 HD13 ' HB2' ' A' ' 72' ' ' GLN . 18.7 tp -85.69 134.61 33.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -115.35 152.45 32.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 88.5 m -138.31 89.56 2.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.443 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.621 ' CD1' HD12 ' A' ' 69' ' ' ILE . 38.0 t80 -72.88 103.32 3.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.54 117.82 23.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.143 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 1.034 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 18.7 m-85 -63.14 167.53 6.21 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 18.3 Cg_endo -75.04 150.62 38.25 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.523 1.801 . . . . 0.0 110.942 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.506 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.3 Cg_endo -75.02 3.16 5.88 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.497 1.788 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.406 ' N ' ' HD2' ' A' ' 86' ' ' LYS . 0.2 OUTLIER -123.67 45.74 2.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.582 1.176 . . . . 0.0 109.259 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.56 ' HZ ' HG21 ' A' ' 95' ' ' VAL . 11.3 t80 -128.13 141.37 51.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 111.031 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.1 m -147.04 112.53 5.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.383 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 62' ' ' GLN . 48.0 tp -85.84 97.58 10.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.3 mtpt -50.58 168.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.467 ' HB1' ' O ' ' A' ' 58' ' ' SER . . . -79.85 134.81 36.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 76.62 2.81 76.91 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -90.4 176.01 6.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.5 p -146.52 157.5 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.249 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 110' ' ' THR . 7.7 p -143.12 146.89 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 109.36 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 112' ' ' LEU . 3.0 m -119.73 131.31 55.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.381 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.584 HD12 ' O ' ' A' ' 52' ' ' VAL . 4.2 mp -118.24 80.37 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.556 ' CE3' ' HB3' ' A' ' 51' ' ' PHE . 43.7 m95 -65.44 165.05 12.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 108.056 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.641 ' HB1' ' HA ' ' A' ' 119' ' ' THR . . . -111.42 138.76 47.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 99' ' ' ALA . 3.5 t -38.11 -45.01 0.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.965 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -45.36 -63.76 2.57 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.54 162.23 2.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 0.761 . . . . 0.0 109.338 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -97.48 48.82 1.5 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.474 1.109 . . . . 0.0 111.018 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.495 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -76.0 -175.74 3.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -134.53 120.55 19.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.381 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.452 ' CE1' HD23 ' A' ' 112' ' ' LEU . 15.6 t60 -58.16 111.29 1.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.627 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.473 ' CB ' ' HB2' ' A' ' 111' ' ' ASP . 0.5 OUTLIER -143.14 69.3 18.06 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.011 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.534 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.2 Cg_endo -75.0 169.02 23.55 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.486 1.782 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.534 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -75.03 -12.81 23.98 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.05 -2.479 . . . . 0.0 111.03 0.05 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.729 ' O ' HG23 ' A' ' 95' ' ' VAL . 43.3 p -58.81 -88.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.389 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.544 ' N ' ' OG1' ' A' ' 110' ' ' THR . 77.6 m-20 -67.29 148.06 52.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.472 ' CD2' ' HB3' ' A' ' 108' ' ' PRO . 36.3 mt -145.29 151.75 38.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 53.8 t -124.74 115.33 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.501 ' CD2' ' HB2' ' A' ' 117' ' ' GLN . 7.0 t90 -77.0 95.16 4.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 108.038 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -79.43 -46.09 18.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.348 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -40.3 -43.48 1.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.501 ' HB2' ' CD2' ' A' ' 114' ' ' TRP . 1.3 mm100 -101.69 176.33 5.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.29 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.421 ' O ' ' HB ' ' A' ' 119' ' ' THR . 0.2 OUTLIER -114.56 -8.87 12.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.641 ' HA ' ' HB1' ' A' ' 99' ' ' ALA . 1.3 t 179.66 160.03 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.365 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.431 ' HB2' ' CA ' ' A' ' 49' ' ' GLY . 51.0 m95 -77.47 -32.88 54.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 108.025 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 118.56 132.91 4.65 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.592 ' C ' HD21 ' A' ' 126' ' ' LEU . 1.1 t -106.16 -153.22 0.49 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 110.48 176.29 20.71 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.544 1.152 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.64 -26.53 25.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.764 . . . . 0.0 109.974 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -113.53 118.07 33.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.991 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.592 HD21 ' C ' ' A' ' 122' ' ' CYS . 0.5 OUTLIER -135.03 154.05 51.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -158.05 104.94 1.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.29 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.403 HG21 HG21 ' A' ' 45' ' ' VAL . 5.8 m -98.7 154.48 17.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 110.375 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -151.07 154.22 36.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.105 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.498 HD23 HG23 ' A' ' 138' ' ' VAL . 14.3 tp -119.8 130.32 54.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.767 HD13 ' HA ' ' A' ' 137' ' ' GLU . 18.2 mm -117.02 146.65 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 136' ' ' GLU . 7.4 p30 -92.45 -172.5 3.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.455 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . 28.0 t -44.88 -38.19 4.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.013 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 136' ' ' GLU . 3.6 p -94.59 158.36 15.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.368 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -67.58 63.32 0.29 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.518 1.136 . . . . 0.0 111.04 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' GLU . . . . . 0.463 ' O ' HG23 ' A' ' 131' ' ' ILE . 14.4 tt0 -145.35 134.86 23.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.767 ' HA ' HD13 ' A' ' 131' ' ' ILE . 7.0 tt0 -80.81 146.83 30.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.346 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.498 HG23 HD23 ' A' ' 130' ' ' LEU . 1.2 m -114.58 -35.67 2.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -149.51 161.59 41.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 4.6 ppp? -150.18 155.74 40.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 111.017 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.503 ' HG3' ' HB2' ' A' ' 34' ' ' ALA . 4.2 ttm-85 -138.27 85.22 2.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 36.0 tttt -74.74 147.78 41.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.74 HD22 ' HB3' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -149.56 104.06 3.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 31' ' ' SER . 3.7 t -113.87 122.5 68.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' ARG . . . . . 0.584 ' HA ' ' CD1' ' A' ' 30' ' ' PHE . 61.9 ttt-85 -79.23 143.1 35.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 1.8 m -90.61 152.96 20.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 110.014 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -57.63 175.79 1.78 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 89.7 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.551 1.816 . . . . 0.0 110.991 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 28.1 p -101.91 139.17 37.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.02 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 14.1 m -50.34 146.01 5.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 109.998 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.031 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 179.963 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.6 m -154.7 166.86 32.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 0.774 . . . . 0.0 109.959 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t -155.1 165.48 36.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.944 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.1 165.59 26.23 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.462 1.101 . . . . 0.0 111.019 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 t -176.19 167.94 2.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 0.786 . . . . 0.0 110.024 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.03 156.44 8.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.165 . . . . 0.0 109.982 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.52 -175.18 43.2 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -134.11 160.07 38.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 0.76 . . . . 0.0 110.292 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 87.2 p -175.11 174.49 2.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.019 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 60.67 148.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.249 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.04 104.41 0.22 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.548 1.155 . . . . 0.0 111.045 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.91 166.43 33.98 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -166.5 178.78 40.81 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.1 t -134.64 170.48 15.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 0.78 . . . . 0.0 110.021 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.7 p -159.68 142.86 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 66.0 p -82.2 162.33 22.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 110.392 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.38 176.03 12.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 tttp 64.9 114.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.59 153.81 17.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.15 150.63 20.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.1 mt -142.21 -65.87 0.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -62.28 120.76 11.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.088 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.3 p -172.18 146.62 1.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.958 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 60.2 m 59.29 169.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.007 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 65.99 103.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.7 101.65 1.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.984 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -159.08 158.97 34.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 110.274 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.41 134.55 15.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.974 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.7 p -160.44 152.78 20.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 110.04 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.664 ' HB2' HD23 ' A' ' 143' ' ' LEU . 7.9 m-30 -40.64 153.31 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.965 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 144' ' ' VAL . 3.5 t -67.59 69.08 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.992 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 30' ' ' PHE . 30.9 mt-30 -47.19 149.74 0.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 55.5 m-70 -158.94 76.08 0.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.632 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -93.51 162.26 14.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.06 105.9 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.462 HG21 ' HB2' ' A' ' 41' ' ' ALA . 0.9 OUTLIER -87.51 148.61 24.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.162 . . . . 0.0 110.383 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 138' ' ' VAL . 7.7 m -155.03 82.66 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.006 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 158.4 -138.21 5.63 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.531 1.144 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.9 mtm180 -102.54 -35.9 8.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 0.742 . . . . 0.0 110.291 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 87.3 t -94.92 156.68 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.462 ' HB2' HG21 ' A' ' 36' ' ' THR . . . -144.94 133.56 22.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.098 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.518 ' CG1' HG23 ' A' ' 45' ' ' VAL . 58.0 t -61.1 87.86 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -38.54 -58.2 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -172.39 135.81 0.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.885 HG22 HG13 ' A' ' 52' ' ' VAL . 11.5 t -122.04 114.45 42.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.469 ' OD2' ' CE2' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -53.78 113.44 1.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.686 ' HB3' HD22 ' A' ' 143' ' ' LEU . 5.1 pt-20 -56.08 -37.06 68.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 110.268 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -56.34 -25.56 49.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 84.97 63.71 1.58 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.472 1.108 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.5 mtmt -118.99 -52.08 2.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.582 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 37.2 p90 -144.94 159.75 42.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 111.03 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.885 HG13 HG22 ' A' ' 45' ' ' VAL . 73.8 t -120.79 111.68 32.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.408 ' HG3' HG23 ' A' ' 96' ' ' THR . 0.0 OUTLIER -93.05 127.96 38.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 110.262 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.585 HD11 HD13 ' A' ' 69' ' ' ILE . 8.0 mt -129.62 127.4 40.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.1 ttp180 -123.19 147.38 46.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -89.44 145.56 25.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.1 mmpt? -109.76 -28.32 8.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.9 t -63.02 174.62 1.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 110.013 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.04 -12.27 15.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -103.65 129.2 50.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.359 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.59 126.3 6.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -96.81 127.86 43.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.313 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.0 t -90.6 123.63 34.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.419 1.074 . . . . 0.0 109.979 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 20.0 mtp -108.38 36.61 2.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -79.91 54.94 4.49 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 1.0 OUTLIER 156.77 -27.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 0.756 . . . . 0.0 109.309 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.506 ' CG ' ' HA ' ' A' ' 132' ' ' ASN . 11.6 m0 -46.81 153.79 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.425 ' HG3' ' C ' ' A' ' 67' ' ' TRP . 0.0 OUTLIER -136.17 173.73 11.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 1.123 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 3.1 mt -136.69 115.52 15.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.418 ' HB2' ' HB3' ' A' ' 129' ' ' ALA . 47.1 mtt-85 -91.52 134.96 34.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -134.78 116.37 14.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.947 ' HB2' HD13 ' A' ' 78' ' ' LEU . 15.9 tm0? -137.16 110.18 7.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.329 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.731 ' HB3' HD23 ' A' ' 126' ' ' LEU . 32.9 m-20 -128.31 147.39 50.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 39.87 -159.84 0.02 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.465 1.103 . . . . 0.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.11 77.89 8.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 0.783 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -137.04 172.21 7.3 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 113.21 3.74 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.486 1.782 . . . . 0.0 111.032 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.947 HD13 ' HB2' ' A' ' 72' ' ' GLN . 11.6 tp -53.77 127.93 27.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 49.2 mtm -108.7 155.0 21.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 66.2 m -140.37 101.35 4.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.4 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -82.77 102.52 11.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.956 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 -86.1 115.98 24.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 110.302 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 1.123 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 29.0 m-85 -61.74 166.02 6.67 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.512 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.2 Cg_endo -75.06 145.47 31.29 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.531 1.806 . . . . 0.0 110.952 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.459 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.4 Cg_endo -74.97 24.23 0.39 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.474 1.776 . . . . 0.0 111.034 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.512 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.0 OUTLIER -144.25 41.99 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -125.31 137.71 54.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.1 m -135.78 113.39 10.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 110.384 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.407 ' O ' ' O ' ' A' ' 90' ' ' LYS . 36.2 tp -89.0 95.91 10.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 89' ' ' LEU . 0.7 OUTLIER -44.29 166.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.275 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.41 136.36 37.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.96 7.72 71.44 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.55 1.156 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -93.16 172.59 8.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.772 . . . . 0.0 110.36 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.5 p -141.44 158.15 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 109' ' ' PRO . 2.4 p -143.45 131.64 19.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 112' ' ' LEU . 6.7 m -107.78 123.29 48.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 110.371 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.572 ' N ' HD12 ' A' ' 97' ' ' ILE . 4.1 mp -107.36 84.08 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.582 ' CE3' ' HB3' ' A' ' 51' ' ' PHE . 53.6 m95 -67.98 164.14 20.64 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.418 ' O ' ' HB3' ' A' ' 102' ' ' ALA . . . -112.14 141.35 45.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 99' ' ' ALA . 2.4 t -37.45 -51.3 1.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.981 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 118' ' ' ASN . . . -81.14 55.12 4.8 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.535 1.147 . . . . 0.0 111.022 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 99' ' ' ALA . . . -135.55 -46.71 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 100.61 24.61 9.21 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.559 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -80.74 -170.01 2.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 0.731 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.1 m -134.29 121.78 21.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 110.396 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.473 ' NE2' ' HG3' ' A' ' 108' ' ' PRO . 20.6 t60 -58.11 93.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.659 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 111' ' ' ASP . 0.5 OUTLIER -130.32 66.54 78.39 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.028 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.568 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.2 Cg_endo -75.1 169.86 21.66 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.486 1.782 . . . . 0.0 110.982 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.568 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.2 Cg_endo -75.01 -12.91 23.92 Favored 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 121.02 -2.492 . . . . 0.0 110.99 0.032 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 107' ' ' SER . 37.5 p -56.86 -83.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.423 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 107' ' ' SER . 0.8 OUTLIER -81.84 144.11 31.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.53 HD21 ' HB3' ' A' ' 108' ' ' PRO . 15.4 mt -139.69 162.31 35.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 65.2 t -132.67 122.31 46.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.504 ' CD2' ' HB2' ' A' ' 117' ' ' GLN . 7.0 t90 -86.3 97.59 10.48 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -80.05 -44.82 19.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.428 ' HB3' ' NE1' ' A' ' 114' ' ' TRP . . . -42.25 -40.73 2.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.504 ' HB2' ' CD2' ' A' ' 114' ' ' TRP . 1.0 OUTLIER -107.37 175.65 5.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.263 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 101' ' ' GLY . 3.6 p30 -114.88 -24.44 8.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.431 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 14.1 t -161.22 148.77 15.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.138 . . . . 0.0 110.391 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.47 ' CE2' ' CG2' ' A' ' 52' ' ' VAL . 46.7 m95 -67.9 -41.62 82.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 107.962 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 134.62 137.73 3.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.477 1.11 . . . . 0.0 111.035 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 7.1 p -117.43 -170.85 1.93 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.51 ' O ' HD21 ' A' ' 126' ' ' LEU . . . 118.37 151.95 9.21 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.472 1.108 . . . . 0.0 110.97 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 74.5 p -53.6 -45.52 70.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 0.78 . . . . 0.0 110.008 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 59.7 p -93.9 120.8 34.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.963 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.731 HD23 ' HB3' ' A' ' 73' ' ' ASN . 0.4 OUTLIER -136.73 151.37 49.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 16.0 ttp85 -159.5 114.83 2.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.338 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 8.6 m -111.19 158.68 18.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.398 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.418 ' HB3' ' HB2' ' A' ' 70' ' ' ARG . . . -151.2 156.82 41.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.423 1.077 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 137' ' ' GLU . 13.2 tp -122.58 130.39 52.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.595 HD13 ' HA ' ' A' ' 137' ' ' GLU . 30.5 mm -110.48 146.89 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.52 HD22 HG13 ' A' ' 138' ' ' VAL . 11.7 p30 -100.34 -166.43 1.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.454 ' OG ' ' N ' ' A' ' 134' ' ' THR . 6.8 p -36.42 -63.61 0.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.988 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.507 HG22 ' OD1' ' A' ' 132' ' ' ASN . 7.4 t -81.54 162.21 23.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.379 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -67.39 64.84 0.26 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 110.967 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -140.09 138.86 35.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 0.797 . . . . 0.0 110.307 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.595 ' HA ' HD13 ' A' ' 131' ' ' ILE . 0.5 OUTLIER -83.11 138.58 33.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 110.366 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.52 HG13 HD22 ' A' ' 132' ' ' ASN . 2.2 m -109.17 -31.34 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -146.81 158.47 43.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 22.0 ptm -143.55 147.73 34.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 111.026 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 21.7 ttm-85 -131.6 96.64 4.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.362 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -89.72 147.16 24.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.686 HD22 ' HB3' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -152.64 117.91 5.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' A' ' 31' ' ' SER . 7.1 t -126.45 120.22 55.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' ARG . . . . . 0.569 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 62.7 ttt180 -77.41 137.5 38.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 110.263 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 8.6 t -88.24 115.97 26.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.022 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -162.16 -174.34 31.93 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 79.43 2.68 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.432 1.754 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.93 121.98 8.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.014 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 34.6 t -111.89 118.93 36.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.006 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.453 1.096 . . . . 0.0 110.995 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.93 165.48 27.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 0.79 . . . . 0.0 110.011 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -161.72 169.24 21.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.988 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.48 147.49 7.93 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.491 1.119 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.6 p -172.56 168.18 5.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 110.026 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.3 166.4 18.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.985 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.53 -177.41 41.22 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.521 1.138 . . . . 0.0 111.017 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -172.43 154.31 3.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 110.341 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.4 p -155.89 160.06 39.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.977 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -172.16 127.78 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -147.58 103.4 0.27 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -141.32 -159.74 8.04 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -133.68 -157.3 8.26 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.7 t -161.38 99.03 1.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 109.983 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.1 p -162.47 125.42 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.7 m -110.79 -61.19 1.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.395 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -44.78 135.41 5.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.152 . . . . 0.0 109.333 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.4 108.16 1.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.7 174.7 0.37 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -165.93 -65.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.0 mt -145.22 167.8 21.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 178.57 80.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 110.346 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.1 t -156.07 125.35 6.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.009 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 178.71 121.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.977 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -149.32 121.85 8.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.65 150.45 4.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.428 1.08 . . . . 0.0 110.038 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -132.41 84.43 2.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.329 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.21 78.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.987 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.3 p 178.28 154.19 0.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.007 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.562 ' CE1' ' HG3' ' A' ' 145' ' ' ARG . 8.0 m-30 -41.34 155.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 144' ' ' VAL . 8.4 t -69.49 62.33 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.999 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -61.41 131.14 49.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 110.276 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.651 ' O ' ' CG ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -144.89 97.34 3.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.587 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.816 ' HB2' ' HG3' ' A' ' 141' ' ' ARG . . . -104.26 161.53 13.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.64 109.75 2.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.413 HG21 ' HB2' ' A' ' 41' ' ' ALA . 0.9 OUTLIER -90.5 145.77 24.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.428 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.2 OUTLIER -156.22 81.43 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.976 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 163.09 -136.98 4.55 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.433 1.083 . . . . 0.0 111.035 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.449 ' CB ' ' HB3' ' A' ' 58' ' ' SER . 8.8 mtm180 -102.81 -36.95 8.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 0.767 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.536 HG12 ' N ' ' A' ' 41' ' ' ALA . 81.4 t -94.87 167.4 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 109.344 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.536 ' N ' HG12 ' A' ' 40' ' ' VAL . . . -154.38 132.35 11.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.578 ' CG1' HG23 ' A' ' 45' ' ' VAL . 58.2 t -59.46 86.94 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 41' ' ' ALA . 4.3 tm-20 -39.81 -59.87 1.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.327 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -169.27 129.62 1.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.323 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.816 HG22 HG13 ' A' ' 52' ' ' VAL . 14.4 t -118.16 111.31 33.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -51.51 111.92 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.333 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.942 ' HB3' HD22 ' A' ' 143' ' ' LEU . 4.5 pt-20 -53.43 -37.01 62.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -54.56 -30.07 53.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.336 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.39 40.32 5.76 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.459 1.099 . . . . 0.0 111.012 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -94.58 -50.13 5.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 0.784 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.571 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 25.2 p90 -149.56 158.76 44.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.816 HG13 HG22 ' A' ' 45' ' ' VAL . 10.8 t -119.87 119.75 61.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.553 ' HG3' HG23 ' A' ' 96' ' ' THR . 0.0 OUTLIER -101.73 128.81 47.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.608 HD11 HD13 ' A' ' 69' ' ' ILE . 13.1 mt -128.45 127.98 43.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.8 ttp180 -121.32 148.87 43.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.318 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -92.33 140.18 29.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.36 -34.13 8.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.449 ' HB3' ' CB ' ' A' ' 39' ' ' ARG . 2.3 p -61.89 166.53 4.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.985 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -102.39 -3.5 26.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -108.19 128.9 55.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -43.84 127.31 5.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.284 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 50.8 tp60 -101.69 117.65 35.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.1 t -79.88 125.17 29.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 110.001 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 52.8 mtp -115.54 38.84 3.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 111.041 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.544 ' CA ' ' HA ' ' A' ' 85' ' ' PRO . . . -82.13 54.29 4.84 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.464 1.103 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.3 OUTLIER 159.33 -28.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 0.785 . . . . 0.0 109.272 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 12.1 m0 -42.63 154.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 107.966 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.413 ' O ' HD12 ' A' ' 130' ' ' LEU . 1.6 mp0 -138.4 172.42 12.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 1.142 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 2.0 mt -134.75 120.82 32.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 109.315 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 40.6 mtt-85 -95.19 135.44 36.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.53 ' O ' HD12 ' A' ' 78' ' ' LEU . 0.3 OUTLIER -138.6 122.47 17.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 110.283 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.591 ' HB2' HD13 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -135.14 110.64 9.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.366 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.449 ' N ' ' OD1' ' A' ' 73' ' ' ASN . 0.7 OUTLIER -116.97 138.84 51.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 37.5 -148.95 0.06 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -93.0 73.44 4.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 0.76 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.414 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 0.6 OUTLIER -131.3 173.79 5.45 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.248 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.414 ' CD ' ' CB ' ' A' ' 76' ' ' ASP . 18.4 Cg_endo -75.0 113.32 3.77 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.468 1.773 . . . . 0.0 111.037 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.591 HD13 ' HB2' ' A' ' 72' ' ' GLN . 11.9 tp -52.77 127.04 21.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -108.23 134.62 50.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 92.0 m -121.92 97.64 5.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 110.385 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -78.31 105.09 9.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.39 113.04 24.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 1.142 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 33.8 m-85 -58.08 165.36 2.71 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.962 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.456 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.3 Cg_endo -74.96 147.05 33.58 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.521 1.801 . . . . 0.0 111.03 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.544 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.1 Cg_endo -75.03 18.64 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.507 1.793 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.456 ' H ' ' C ' ' A' ' 84' ' ' PRO . 1.0 OUTLIER -135.64 37.89 2.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -128.75 139.48 52.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.989 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.75 116.56 10.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.422 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 32.7 tp -86.23 98.11 10.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.289 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -47.4 171.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -82.31 138.43 34.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 71.24 4.13 55.24 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.507 1.129 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -90.64 171.32 9.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 0.797 . . . . 0.0 110.287 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.4 p -141.62 155.32 20.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 110' ' ' THR . 3.6 p -142.16 141.12 29.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.553 HG23 ' HG3' ' A' ' 53' ' ' ARG . 3.4 m -117.61 130.23 56.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 110.41 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.441 ' N ' HD12 ' A' ' 97' ' ' ILE . 5.4 mp -115.33 87.15 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.619 ' CB ' ' CB ' ' A' ' 104' ' ' ALA . 41.8 m95 -68.62 162.85 25.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 107.974 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 100' ' ' SER . . . -106.97 140.51 39.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 99' ' ' ALA . 6.0 t -38.69 -43.36 0.89 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.09 . . . . 0.0 110.004 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -49.1 -64.41 3.33 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.54 1.15 . . . . 0.0 111.007 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.29 162.56 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -94.81 43.99 2.25 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.619 ' CB ' ' CB ' ' A' ' 98' ' ' TRP . . . -72.95 -170.29 0.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 0.766 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.1 m -145.46 125.08 13.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.15 . . . . 0.0 110.395 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.48 ' NE2' ' HG3' ' A' ' 108' ' ' PRO . 20.2 t60 -60.24 95.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.596 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -131.55 65.63 76.44 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 110.02 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.566 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.2 Cg_endo -75.01 170.0 21.39 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.572 1.827 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.566 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.2 Cg_endo -75.0 -13.65 23.5 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.969 -2.513 . . . . 0.0 110.996 -0.003 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.472 ' O ' HG23 ' A' ' 95' ' ' VAL . 36.5 p -55.89 -84.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.41 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -80.32 146.69 31.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.509 HD21 ' HB3' ' A' ' 108' ' ' PRO . 16.3 mt -141.25 160.09 40.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 64.7 t -129.86 124.59 59.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.523 ' NE1' ' HB3' ' A' ' 116' ' ' ALA . 7.2 t90 -87.41 99.42 11.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 107.985 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.48 -43.79 18.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.523 ' HB3' ' NE1' ' A' ' 114' ' ' TRP . . . -43.46 -41.97 4.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.516 ' HB2' ' CD2' ' A' ' 114' ' ' TRP . 1.6 mm-40 -104.39 170.48 7.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -113.99 -12.54 12.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 7.8 t -173.3 148.13 1.6 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.38 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 58.8 m95 -70.11 -35.45 74.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 107.98 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.423 ' C ' ' ND2' ' A' ' 73' ' ' ASN . . . 127.33 137.33 4.48 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 1.6 p -119.05 -173.47 2.5 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 119.87 170.22 14.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.483 1.115 . . . . 0.0 111.01 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 90.1 p -66.28 -56.83 9.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 110.023 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.675 ' HA ' HG13 ' A' ' 144' ' ' VAL . 24.0 m -84.97 122.5 29.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.031 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.444 HD22 HD22 ' A' ' 73' ' ' ASN . 0.5 OUTLIER -139.75 154.28 47.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -160.19 128.56 4.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.411 ' OG1' ' NH1' ' A' ' 71' ' ' ARG . 13.6 m -123.38 155.91 36.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.393 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -150.63 158.23 43.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' ' 68' ' ' GLN . 13.7 tp -123.77 130.73 53.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.57 HD13 ' HA ' ' A' ' 137' ' ' GLU . 29.8 mm -110.99 146.97 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 133' ' ' SER . 7.0 p30 -101.15 -171.19 1.95 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.253 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 132' ' ' ASN . 4.1 p -36.29 -55.43 0.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.001 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 136' ' ' GLU . 60.9 p -83.02 159.42 22.18 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.548 1.155 . . . . 0.0 110.386 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -68.55 59.4 0.46 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' GLU . . . . . 0.499 ' O ' HG23 ' A' ' 131' ' ' ILE . 13.6 tt0 -138.1 146.94 43.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 110.32 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.57 ' HA ' HD13 ' A' ' 131' ' ' ILE . 2.6 tm-20 -88.24 144.11 26.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 37' ' ' SER . 2.8 m -111.74 -35.04 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -147.0 158.96 44.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' MET . . . . . 0.437 ' HB2' ' HE2' ' A' ' 140' ' ' MET . 4.9 ppp? -142.12 153.53 44.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.816 ' HG3' ' HB2' ' A' ' 34' ' ' ALA . 10.1 ttt85 -140.26 95.7 2.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.436 ' HB3' ' ND1' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -84.96 148.82 26.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.436 1.085 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.942 HD22 ' HB3' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -156.38 98.99 1.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 109.28 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.675 HG13 ' HA ' ' A' ' 125' ' ' SER . 33.8 t -122.71 130.08 74.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' ARG . . . . . 0.562 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 40.0 ttt180 -82.95 130.82 35.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.66 105.26 1.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.046 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -152.85 158.46 27.9 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.455 1.097 . . . . 0.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 130.67 13.49 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.481 1.779 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.89 -57.56 1.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.033 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.83 80.62 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.991 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.532 1.145 . . . . 0.0 110.978 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.29 169.47 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 0.751 . . . . 0.0 110.012 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.98 166.63 6.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.985 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.93 158.2 9.18 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.39 140.09 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 0.772 . . . . 0.0 110.006 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.36 171.98 1.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.025 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.42 139.38 2.66 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.507 1.13 . . . . 0.0 111.032 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -172.63 155.77 3.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 t -167.72 151.83 6.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.021 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -174.63 168.31 3.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.15 159.21 9.26 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.3 155.12 6.32 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 166.11 133.95 1.6 Allowed Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.79 132.14 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 0.745 . . . . 0.0 109.985 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.1 p -172.91 153.07 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.6 t -170.79 161.92 7.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.411 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.02 115.61 0.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.25 110.18 1.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.69 -66.42 0.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 ttpp -166.34 92.4 0.48 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.09 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -175.85 128.58 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -148.9 -60.73 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.7 p -175.53 164.45 3.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.033 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.7 t -123.34 -49.98 1.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.037 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 65.09 -83.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.34 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.69 149.97 44.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.981 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -128.27 90.8 3.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.271 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.7 t 41.03 89.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.143 . . . . 0.0 110.022 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 30' ' ' PHE . 15.7 m -145.57 88.58 1.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.984 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.581 ' CE1' ' HG3' ' A' ' 145' ' ' ARG . 7.4 m-30 58.69 151.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 144' ' ' VAL . 3.8 t -68.84 66.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.041 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 30' ' ' PHE . 26.5 mt-30 -42.94 150.17 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -155.52 74.98 0.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.624 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.403 ' HB2' ' HG3' ' A' ' 141' ' ' ARG . . . -90.67 160.27 15.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 109.345 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.92 103.07 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.269 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -87.51 147.27 25.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.42 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 138' ' ' VAL . 30.1 m -156.31 81.89 0.98 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 109.998 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 161.14 -138.31 5.39 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.452 1.095 . . . . 0.0 110.961 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.411 ' CB ' ' HB3' ' A' ' 58' ' ' SER . 8.2 mtm180 -103.7 -36.23 7.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 0.74 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 63.5 t -95.1 157.02 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -144.71 137.43 26.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.538 ' CG1' HG23 ' A' ' 45' ' ' VAL . 60.9 t -65.73 86.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 42' ' ' VAL . 7.0 tm-20 -37.82 -65.05 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -162.47 133.21 4.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.769 HG22 HG13 ' A' ' 52' ' ' VAL . 7.9 t -122.16 116.59 49.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -59.06 112.64 1.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.822 ' HB3' HD22 ' A' ' 143' ' ' LEU . 6.5 pt-20 -59.22 -29.07 67.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -63.44 -22.57 66.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 110.301 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.57 69.21 1.4 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.09 -51.73 1.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 0.789 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.57 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 35.4 p90 -148.37 155.67 41.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.769 HG13 HG22 ' A' ' 45' ' ' VAL . 37.6 t -119.82 116.18 49.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.507 ' CG ' HG23 ' A' ' 96' ' ' THR . 0.0 OUTLIER -98.5 122.17 41.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.29 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.587 HD11 HD13 ' A' ' 69' ' ' ILE . 11.0 mt -121.08 128.76 52.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -122.47 148.75 44.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.296 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 39.6 t-20 -92.68 150.23 20.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.23 -34.55 5.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.526 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 5.6 p -62.7 167.55 4.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 110.01 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.536 ' HA ' ' HB1' ' A' ' 91' ' ' ALA . 3.0 p30 -101.35 -11.61 19.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -96.57 119.28 34.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 110.306 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -40.89 123.77 2.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -90.41 138.52 31.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.261 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.9 m -103.57 114.81 29.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.996 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.52 ' HA ' ' CD1' ' A' ' 67' ' ' TRP . 9.1 mtp -105.96 45.11 0.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -87.17 54.7 4.54 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.512 1.133 . . . . 0.0 111.039 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.512 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 1.2 m-20 154.9 -23.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 0.779 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.52 ' CD1' ' HA ' ' A' ' 64' ' ' MET . 11.3 m0 -45.66 166.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 108.032 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -149.3 168.53 23.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.911 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 2.2 mt -130.65 114.86 29.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 129' ' ' ALA . 55.6 mtt-85 -90.84 128.63 36.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.25 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.413 ' HB3' ' CG ' ' A' ' 79' ' ' MET . 0.1 OUTLIER -133.9 109.39 9.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.48 ' HB2' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -117.47 129.68 55.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.236 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.4 ' ND2' ' C ' ' A' ' 121' ' ' GLY . 1.2 m-20 -125.13 148.84 48.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -48.97 136.45 19.85 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.546 1.154 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.84 -67.53 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 0.798 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -43.5 158.18 0.25 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -178.4 4.13 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.496 1.788 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.48 HD13 ' HB2' ' A' ' 72' ' ' GLN . 15.7 tp -103.86 130.43 51.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.429 ' N ' HD12 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -119.09 146.69 44.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.581 1.176 . . . . 0.0 110.982 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 50.9 m -132.78 99.68 4.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.369 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.42 ' CD1' HD12 ' A' ' 69' ' ' ILE . 55.2 t80 -77.57 99.13 5.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 111.036 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -83.97 121.39 27.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.911 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 28.9 m-85 -68.67 164.83 41.86 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.491 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.2 Cg_endo -75.07 145.1 30.81 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.429 1.752 . . . . 0.0 110.947 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.483 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.4 Cg_endo -74.98 34.69 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.532 1.806 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.491 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.0 OUTLIER -152.19 26.8 0.61 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -114.22 138.71 50.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.32 116.92 11.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.395 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 56.3 tp -89.61 98.84 12.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.563 1.164 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.48 167.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.352 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.536 ' HB1' ' HA ' ' A' ' 59' ' ' ASN . . . -76.91 136.93 38.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.23 6.41 64.96 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -90.2 173.38 8.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 0.756 . . . . 0.0 110.286 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 11.9 p -143.31 157.88 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 1.1 p -145.07 140.42 22.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.507 HG23 ' CG ' ' A' ' 53' ' ' ARG . 1.4 m -113.75 132.14 55.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.463 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.55 HD12 ' O ' ' A' ' 52' ' ' VAL . 4.3 mp -117.05 83.6 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.634 ' CG ' ' CB ' ' A' ' 104' ' ' ALA . 42.4 m95 -70.36 164.31 24.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 108.034 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -109.31 136.93 47.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.5 t -39.62 -31.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.028 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 118' ' ' ASN . . . -97.1 59.3 1.16 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.466 1.103 . . . . 0.0 111.021 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -143.52 -47.39 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.788 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 109.96 9.54 24.2 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.634 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -65.21 -170.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 0.792 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -137.64 122.59 18.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.394 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.468 ' NE2' ' HG3' ' A' ' 108' ' ' PRO . 19.0 t60 -57.58 93.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.585 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 111' ' ' ASP . 0.5 OUTLIER -128.78 68.68 79.3 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 110.014 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.564 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.3 Cg_endo -74.94 169.66 22.12 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.564 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -75.02 -11.01 24.33 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 121.039 -2.484 . . . . 0.0 110.995 0.007 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 41.8 p -60.35 -90.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.396 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 107' ' ' SER . 18.9 m-20 -72.64 142.59 48.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.563 HD21 ' HB3' ' A' ' 108' ' ' PRO . 15.2 mt -138.88 165.4 27.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 72.6 t -135.04 123.56 40.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.251 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.777 ' HE1' ' HB3' ' A' ' 116' ' ' ALA . 5.9 t90 -85.87 101.41 12.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 107.991 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.83 -39.77 29.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.777 ' HB3' ' HE1' ' A' ' 114' ' ' TRP . . . -52.24 -32.75 38.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.158 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.428 ' HB2' ' CD2' ' A' ' 114' ' ' TRP . 29.2 mm100 -119.62 169.7 9.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.422 ' O ' ' N ' ' A' ' 101' ' ' GLY . 1.1 m120 -114.1 -26.71 7.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 10.0 t -152.45 146.15 25.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.16 . . . . 0.0 110.425 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.573 ' CE2' ' CG2' ' A' ' 52' ' ' VAL . 53.2 m95 -67.05 -15.13 63.53 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.4 ' C ' ' ND2' ' A' ' 73' ' ' ASN . . . 106.4 161.01 22.36 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.458 1.099 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.476 ' HA ' ' CD2' ' A' ' 126' ' ' LEU . 0.9 OUTLIER -161.88 176.58 10.68 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 125' ' ' SER . . . 138.45 44.06 0.08 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 68.18 -64.01 0.31 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 0.769 . . . . 0.0 109.952 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.515 ' O ' HD23 ' A' ' 126' ' ' LEU . 25.3 p -84.72 133.35 34.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.105 . . . . 0.0 110.013 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.515 HD23 ' O ' ' A' ' 125' ' ' SER . 0.5 OUTLIER -144.54 155.67 43.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -156.11 100.56 2.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.283 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 29.6 m -98.06 163.53 12.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.425 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -164.42 152.56 12.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.456 HD23 HG23 ' A' ' 138' ' ' VAL . 14.2 tp -117.85 130.54 56.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.7 HD13 ' HA ' ' A' ' 137' ' ' GLU . 19.2 mm -116.46 146.49 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.409 ' ND2' ' O ' ' A' ' 136' ' ' GLU . 7.8 p30 -92.83 -171.7 2.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.446 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . 1.4 t -44.83 -41.7 7.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.052 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 136' ' ' GLU . 5.5 p -91.95 159.05 15.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.416 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -67.4 62.51 0.26 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.51 1.131 . . . . 0.0 111.031 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' GLU . . . . . 0.464 ' O ' HG23 ' A' ' 131' ' ' ILE . 18.2 tt0 -143.08 135.78 27.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 0.76 . . . . 0.0 110.33 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.7 ' HA ' HD13 ' A' ' 131' ' ' ILE . 4.0 tt0 -82.96 145.82 29.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 37' ' ' SER . 1.7 m -113.14 -35.32 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -144.08 157.88 44.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 17.3 ptm -142.84 143.74 32.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.468 ' HD2' ' CG1' ' A' ' 42' ' ' VAL . 7.8 ttt85 -131.05 82.57 2.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.438 ' HE2' ' CG2' ' A' ' 144' ' ' VAL . 32.1 tttt -78.82 147.68 33.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.822 HD22 ' HB3' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -149.97 116.66 5.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 31' ' ' SER . 32.3 t -122.22 124.35 70.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' ARG . . . . . 0.581 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 57.4 ttt180 -77.34 148.48 35.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 1.4 m -119.83 113.39 20.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.97 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -160.41 160.14 31.49 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -52.05 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.451 1.764 . . . . 0.0 111.055 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 4.3 t 61.59 86.09 0.11 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 110.04 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 98.8 p -112.78 129.2 56.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.979 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.553 1.158 . . . . 0.0 111.015 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.8 p -174.58 123.98 0.28 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 0.793 . . . . 0.0 109.976 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.03 168.51 6.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 109.984 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.03 -165.85 14.61 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.453 1.096 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.77 170.44 3.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 0.758 . . . . 0.0 109.94 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.2 t -139.12 167.75 21.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.02 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.67 148.19 6.72 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.483 1.114 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -170.33 133.98 1.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 0.739 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.6 m -147.54 169.61 19.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.035 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.97 165.87 19.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -122.57 -153.19 8.77 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.473 1.108 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -163.01 -140.55 2.9 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 151.98 120.36 0.87 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.14 158.22 21.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 110.046 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.7 p -148.83 146.88 17.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.5 t -161.35 138.01 8.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.386 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -60.34 167.03 2.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.34 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -162.62 175.27 11.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.1 ttt180 60.03 100.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.318 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -167.94 97.13 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -54.1 166.28 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -177.51 -60.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.273 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.75 138.08 33.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 110.023 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.7 m -111.93 -59.28 2.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.052 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -51.87 147.61 6.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.418 1.073 . . . . 0.0 110.331 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.8 p -140.71 154.86 46.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.028 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -118.05 148.7 42.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 91.1 p -70.49 80.46 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 110.021 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.437 ' O ' ' O ' ' A' ' 30' ' ' PHE . 75.3 m -167.69 92.64 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.006 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.538 ' CD1' ' HA ' ' A' ' 145' ' ' ARG . 10.0 m-30 57.98 148.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 144' ' ' VAL . 33.8 m -72.19 68.16 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.976 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.57 ' HG2' HD11 ' A' ' 143' ' ' LEU . 62.5 mt-30 -42.97 142.56 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 27.1 m80 -155.47 74.6 0.9 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.616 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.64 ' HB2' ' HG3' ' A' ' 141' ' ' ARG . . . -101.29 157.09 17.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -151.59 112.61 4.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -86.1 147.52 26.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.435 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.2 OUTLIER -155.94 81.78 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.989 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 156.81 -134.96 4.23 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.143 . . . . 0.0 111.038 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.6 mtm-85 -105.53 -41.88 5.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 0.746 . . . . 0.0 110.292 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.466 HG23 ' HG2' ' A' ' 62' ' ' GLN . 89.6 t -93.16 147.41 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -134.26 139.5 45.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.269 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.571 ' CG1' HG23 ' A' ' 45' ' ' VAL . 44.9 t -66.89 87.46 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 42' ' ' VAL . 7.5 tp10 -37.67 -72.81 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 110.308 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -153.8 132.61 12.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.82 HG22 HG13 ' A' ' 52' ' ' VAL . 9.6 t -119.51 103.78 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -42.41 112.34 0.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.556 ' O ' HD13 ' A' ' 126' ' ' LEU . 5.0 pt-20 -58.44 -35.51 72.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.258 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -61.26 -25.06 66.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.289 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.09 71.53 1.3 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -127.17 -45.26 1.55 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 0.754 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.522 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 35.2 p90 -155.46 155.34 33.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 111.038 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.82 HG13 HG22 ' A' ' 45' ' ' VAL . 26.0 t -118.89 113.02 40.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.58 ' HG3' HG23 ' A' ' 96' ' ' THR . 0.0 OUTLIER -98.4 124.27 42.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.279 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.799 HD11 ' CD1' ' A' ' 69' ' ' ILE . 10.8 mt -120.11 133.75 55.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.56 147.43 49.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.439 ' OD1' ' N ' ' A' ' 57' ' ' LYS . 52.7 t-20 -90.55 147.97 23.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.439 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 4.7 mmtp -112.51 -33.45 6.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.326 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.5 t -61.57 165.65 4.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 110.013 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.462 ' C ' ' CB ' ' A' ' 91' ' ' ALA . 8.4 p30 -97.0 -18.27 19.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -93.65 128.73 39.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 110.269 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.51 132.57 6.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.466 ' HG2' HG23 ' A' ' 40' ' ' VAL . 8.8 tp-100 -101.75 134.84 44.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.332 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.0 t -99.33 126.3 45.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.099 . . . . 0.0 110.006 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.489 ' HA ' ' CD1' ' A' ' 67' ' ' TRP . 13.2 mtp -119.57 43.58 2.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.502 ' CA ' ' HA ' ' A' ' 85' ' ' PRO . . . -85.13 54.65 4.91 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.505 1.128 . . . . 0.0 110.944 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.479 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 1.0 OUTLIER 157.51 -25.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 0.729 . . . . 0.0 109.261 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.489 ' CD1' ' HA ' ' A' ' 64' ' ' MET . 12.6 m0 -43.07 163.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 108.022 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -149.88 169.36 21.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.282 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.799 ' CD1' HD11 ' A' ' 54' ' ' LEU . 11.5 mt -130.07 115.17 31.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 57.3 mtt-85 -86.31 131.1 34.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.323 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.409 ' O ' ' HA ' ' A' ' 78' ' ' LEU . 4.1 tpt180 -126.92 104.65 8.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.461 ' HB2' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -123.65 93.51 3.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.323 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.495 ' HB2' HD23 ' A' ' 126' ' ' LEU . 8.6 p30 -107.26 140.19 40.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 73' ' ' ASN . . . 37.61 -144.24 0.18 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.499 1.124 . . . . 0.0 110.984 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -99.02 52.97 0.97 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 0.773 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.464 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 0.4 OUTLIER -109.76 175.98 1.72 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.464 ' CD ' ' CB ' ' A' ' 76' ' ' ASP . 18.1 Cg_endo -75.07 114.55 4.04 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.528 1.804 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.461 HD13 ' HB2' ' A' ' 72' ' ' GLN . 2.9 tp -61.34 120.89 11.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -105.52 134.31 48.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.6 m -115.38 94.16 4.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.368 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.479 ' CE2' HG21 ' A' ' 97' ' ' ILE . 63.6 t80 -74.23 95.2 2.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.5 ttt180 -80.27 121.2 25.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.539 ' CE2' HD11 ' A' ' 69' ' ' ILE . 19.7 m-85 -66.33 166.7 15.66 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.511 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.4 Cg_endo -75.0 144.97 30.86 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.535 1.808 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.502 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.2 Cg_endo -75.03 25.79 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.499 1.789 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.511 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.0 OUTLIER -144.3 35.0 1.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.147 . . . . 0.0 109.317 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.426 ' CZ ' HG21 ' A' ' 95' ' ' VAL . 18.6 t80 -120.57 130.87 54.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.416 HG22 ' O ' ' A' ' 88' ' ' THR . 0.8 OUTLIER -130.21 108.0 9.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.373 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 62' ' ' GLN . 54.0 tp -82.21 94.71 7.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 89' ' ' LEU . 38.5 mtmt -47.44 173.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.462 ' CB ' ' C ' ' A' ' 59' ' ' ASN . . . -85.01 132.5 34.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.26 9.67 86.68 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.506 1.129 . . . . 0.0 110.953 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -94.95 175.16 6.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 0.748 . . . . 0.0 110.323 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.9 p -144.39 160.17 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 110' ' ' THR . 6.5 p -147.95 147.12 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.58 HG23 ' HG3' ' A' ' 53' ' ' ARG . 9.2 m -120.66 131.95 54.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.469 1.105 . . . . 0.0 110.4 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.526 HD12 ' O ' ' A' ' 52' ' ' VAL . 4.1 mp -117.48 81.98 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.522 ' CE3' ' HB3' ' A' ' 51' ' ' PHE . 37.4 m95 -66.94 166.62 13.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 107.975 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.538 ' O ' ' HB3' ' A' ' 102' ' ' ALA . . . -111.22 142.94 42.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 99' ' ' ALA . 4.2 t -37.43 -59.04 0.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.987 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 118' ' ' ASN . . . -47.09 -48.77 19.41 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 99' ' ' ALA . . . -41.79 -43.69 3.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 0.763 . . . . 0.0 109.281 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 76.19 23.84 70.26 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.534 1.146 . . . . 0.0 111.02 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.61 -159.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 0.786 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -126.95 116.94 21.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.388 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.472 ' CE1' HD23 ' A' ' 112' ' ' LEU . 10.0 t60 -58.83 111.57 1.33 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.625 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.481 ' CB ' ' HB2' ' A' ' 111' ' ' ASP . 0.4 OUTLIER -141.48 68.18 25.53 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.026 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.53 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.4 Cg_endo -75.01 169.16 23.24 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.525 1.802 . . . . 0.0 111.001 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.53 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.5 Cg_endo -74.95 -10.62 24.07 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 121.034 -2.486 . . . . 0.0 111.027 0.006 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.675 ' O ' HG23 ' A' ' 95' ' ' VAL . 33.3 p -60.87 -88.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.373 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.481 ' HB2' ' CB ' ' A' ' 107' ' ' SER . 13.8 m-20 -67.39 144.38 55.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.33 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.476 ' CD2' ' HB3' ' A' ' 108' ' ' PRO . 26.7 mt -141.81 151.2 42.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 47.1 t -122.21 119.51 58.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.51 ' CD2' ' HB2' ' A' ' 117' ' ' GLN . 5.1 t90 -80.23 99.17 7.69 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.14 -43.88 18.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -45.64 -51.91 11.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.51 ' HB2' ' CD2' ' A' ' 114' ' ' TRP . 0.9 OUTLIER -90.67 176.4 6.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.403 ' O ' ' N ' ' A' ' 101' ' ' GLY . 3.5 p30 -116.01 -31.91 5.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 13.1 t -160.44 128.51 4.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.379 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.421 ' CD1' ' HB2' ' A' ' 99' ' ' ALA . 54.3 m95 -45.55 -42.18 10.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 108.027 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 135.84 133.3 3.21 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.13 . . . . 0.0 111.049 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 4.0 p -113.41 -172.18 2.02 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 126.99 -156.65 20.34 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.2 p -108.62 -32.05 7.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 0.785 . . . . 0.0 110.029 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 32.9 p -113.15 119.44 37.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.98 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.556 HD13 ' O ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -135.52 150.61 49.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -150.45 108.4 3.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 110.33 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 5.7 m -108.49 141.7 39.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.418 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -137.66 145.27 42.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.532 HD23 HG23 ' A' ' 138' ' ' VAL . 14.9 tp -103.96 131.57 51.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.748 HD13 ' HA ' ' A' ' 137' ' ' GLU . 24.2 mm -117.3 146.28 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.536 HD22 HG13 ' A' ' 138' ' ' VAL . 9.9 p30 -97.71 -170.94 2.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 132' ' ' ASN . 0.4 OUTLIER -36.73 -59.64 0.66 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 136' ' ' GLU . 51.8 p -79.49 160.24 26.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -68.19 60.96 0.4 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.469 1.105 . . . . 0.0 110.963 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' GLU . . . . . 0.492 ' O ' HG23 ' A' ' 131' ' ' ILE . 15.0 tt0 -137.11 138.56 40.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 0.787 . . . . 0.0 110.29 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.748 ' HA ' HD13 ' A' ' 131' ' ' ILE . 4.0 tm-20 -84.54 142.98 29.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.536 HG13 HD22 ' A' ' 132' ' ' ASN . 2.9 m -112.81 -36.78 2.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -141.03 161.53 37.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 17.1 ptm -143.46 157.54 44.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.64 ' HG3' ' HB2' ' A' ' 34' ' ' ALA . 4.8 ttm-85 -147.49 87.38 1.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.334 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.45 ' O ' HD22 ' A' ' 143' ' ' LEU . 36.3 tttt -85.02 125.88 33.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.57 HD11 ' HG2' ' A' ' 32' ' ' GLN . 1.3 mm? -123.02 116.21 23.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 31' ' ' SER . 2.9 t -121.23 132.56 70.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' ARG . . . . . 0.538 ' HA ' ' CD1' ' A' ' 30' ' ' PHE . 72.7 ttt180 -86.95 148.86 25.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.26 136.17 33.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 110.026 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -158.06 -171.21 23.7 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.465 1.103 . . . . 0.0 110.986 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -55.06 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.514 1.797 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 7.1 m -63.18 130.9 46.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.009 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 16.8 t -143.79 -58.08 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.967 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.9 t -178.18 125.06 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 110.049 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.7 p -179.21 171.19 1.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.026 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.61 160.99 26.6 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.13 164.04 1.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 0.787 . . . . 0.0 109.976 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.2 t -179.1 135.03 0.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.994 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.69 94.97 0.1 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.485 1.115 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -143.15 165.91 26.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 0.734 . . . . 0.0 110.306 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 81.8 p -158.24 153.53 25.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.051 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -124.83 172.28 9.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.322 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -171.95 178.09 44.36 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.55 1.156 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -170.63 -167.34 30.88 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 162.15 176.93 34.75 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.16 160.69 15.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 0.744 . . . . 0.0 110.004 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.7 m -130.08 61.09 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.675 HG23 ' O ' ' A' ' 16' ' ' THR . 15.0 t -115.77 57.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.398 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -168.91 171.35 8.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.39 150.21 27.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -120.98 137.24 54.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.6 170.78 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.9 tp -149.74 -64.73 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 62.4 85.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.9 m -74.4 155.84 37.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.007 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.4 m -67.45 96.53 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.007 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -164.68 86.91 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.3 m -104.47 -59.31 1.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.994 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 59.41 157.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 110.306 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 88.1 p -90.76 117.17 29.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.948 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 30' ' ' PHE . 15.1 p 176.3 94.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.996 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.588 ' CD1' ' HA ' ' A' ' 145' ' ' ARG . 9.5 m-30 57.75 154.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 110.962 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 144' ' ' VAL . 48.9 m -78.25 68.97 4.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.024 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.553 ' HG2' HD21 ' A' ' 143' ' ' LEU . 42.1 mt-30 -37.92 144.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 24.7 m80 -157.41 73.37 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 109.61 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.665 ' HB2' ' HG3' ' A' ' 141' ' ' ARG . . . -102.47 166.36 10.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.33 108.97 1.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.27 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.99 147.76 26.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.384 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 138' ' ' VAL . 4.8 m -156.44 81.94 0.97 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.102 . . . . 0.0 109.986 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 157.08 -138.66 6.0 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.491 1.119 . . . . 0.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.456 ' CG ' ' HB3' ' A' ' 58' ' ' SER . 7.8 mtm180 -102.11 -39.08 7.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 0.77 . . . . 0.0 110.276 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 88.3 t -89.33 156.3 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.17 136.65 25.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.829 ' HA ' HD23 ' A' ' 54' ' ' LEU . 47.9 t -64.48 87.19 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -39.58 -59.61 1.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.285 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -170.88 135.46 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.822 HG22 HG13 ' A' ' 52' ' ' VAL . 10.5 t -122.12 116.95 50.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -50.73 108.09 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.48 ' O ' ' CD1' ' A' ' 126' ' ' LEU . 8.0 pt-20 -56.55 -31.23 63.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -67.03 -26.4 66.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.328 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.5 81.34 1.38 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.593 ' HD2' ' HB1' ' A' ' 102' ' ' ALA . 2.2 mmmt -139.71 -49.93 0.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.574 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 49.5 p90 -148.31 157.71 43.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.822 HG13 HG22 ' A' ' 45' ' ' VAL . 52.4 t -120.16 109.42 25.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.73 126.46 36.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.257 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.829 HD23 ' HA ' ' A' ' 42' ' ' VAL . 33.3 mt -125.32 125.44 43.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.513 ' CG ' HG22 ' A' ' 94' ' ' VAL . 25.7 ttp180 -119.83 146.54 45.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -89.63 145.89 24.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.85 -34.96 6.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.456 ' HB3' ' CG ' ' A' ' 39' ' ' ARG . 84.0 p -61.55 165.65 4.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 110.007 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.458 ' HA ' ' HB1' ' A' ' 91' ' ' ALA . 3.4 p30 -103.81 13.14 33.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 0.0 109.343 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -125.13 131.74 53.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -47.3 119.97 2.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 50.5 tp60 -94.28 114.2 26.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.343 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 89.8 p -71.34 121.77 19.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.019 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 43.8 mtp -115.14 46.03 1.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.516 ' CA ' ' HA ' ' A' ' 85' ' ' PRO . . . -91.81 55.35 3.0 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.479 1.112 . . . . 0.0 110.967 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.462 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER 159.46 -28.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 0.787 . . . . 0.0 109.275 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 11.2 m0 -43.98 161.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 108.029 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -146.05 169.91 17.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 1.09 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 4.7 mt -129.7 115.84 35.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.402 ' HB2' ' HB3' ' A' ' 129' ' ' ALA . 38.6 mtt-85 -89.6 139.56 30.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.421 ' NH1' ' HB3' ' A' ' 120' ' ' TRP . 0.4 OUTLIER -140.33 102.03 4.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 110.296 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.643 ' HB2' HD13 ' A' ' 78' ' ' LEU . 0.8 OUTLIER -114.46 105.92 13.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.16 . . . . 0.0 110.263 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.42 ' OD1' ' NE ' ' A' ' 71' ' ' ARG . 41.4 m-20 -105.61 149.12 26.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 75' ' ' ASP . . . -59.35 153.06 32.59 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 74' ' ' GLY . 28.4 m-20 40.38 58.3 2.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 0.767 . . . . 0.0 109.274 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -175.62 162.56 2.11 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.452 1.095 . . . . 0.0 109.346 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 162.84 36.42 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.482 1.78 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.643 HD13 ' HB2' ' A' ' 72' ' ' GLN . 10.7 tp -100.47 127.26 46.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -112.16 155.86 23.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 17.8 m -140.64 98.59 3.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 110.425 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -77.33 98.76 5.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.967 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.4 ttp85 -83.47 113.76 21.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 1.09 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 37.5 m-85 -59.07 164.74 4.16 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.511 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.3 Cg_endo -75.0 145.89 31.99 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.493 1.786 . . . . 0.0 110.993 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.516 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.3 Cg_endo -75.02 25.45 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.478 1.778 . . . . 0.0 111.023 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.511 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.7 OUTLIER -144.18 38.76 1.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -128.45 135.12 49.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -134.6 111.13 9.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 90' ' ' LYS . 33.7 tp -81.93 96.8 7.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 89' ' ' LEU . 1.0 OUTLIER -47.82 173.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.458 ' HB1' ' HA ' ' A' ' 59' ' ' ASN . . . -81.22 139.77 35.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 67.54 7.99 49.57 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -87.65 175.6 7.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 0.76 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.513 HG22 ' CG ' ' A' ' 55' ' ' ARG . 19.6 t -147.59 145.76 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.6 p -133.57 138.39 51.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 112' ' ' LEU . 2.0 m -111.67 126.22 54.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 110.414 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.462 ' N ' HD12 ' A' ' 97' ' ' ILE . 4.8 mp -111.64 85.84 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.574 ' CE3' ' HB3' ' A' ' 51' ' ' PHE . 53.0 m95 -71.22 165.9 22.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 107.996 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 100' ' ' SER . . . -106.69 141.17 38.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.103 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 99' ' ' ALA . 4.4 t -37.09 -46.2 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.002 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -99.98 75.13 0.46 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.518 1.136 . . . . 0.0 111.033 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.593 ' HB1' ' HD2' ' A' ' 50' ' ' LYS . . . -161.08 27.96 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 0.746 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 102' ' ' ALA . . . 35.04 52.32 0.87 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.482 1.114 . . . . 0.0 110.97 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.461 ' CB ' ' CB ' ' A' ' 98' ' ' TRP . . . -99.81 -158.47 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 0.79 . . . . 0.0 109.353 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.3 m -158.42 122.1 3.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.43 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.505 ' NE2' ' HG3' ' A' ' 108' ' ' PRO . 21.3 t60 -62.81 94.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.157 . . . . 0.0 109.626 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.04 65.5 75.53 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.032 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.579 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.3 Cg_endo -74.99 170.55 20.18 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.531 1.806 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.579 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -75.01 -13.05 23.86 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 120.998 -2.501 . . . . 0.0 110.979 -0.004 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 71.7 p -57.0 -85.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.41 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -79.05 145.01 34.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.52 HD21 ' HB3' ' A' ' 108' ' ' PRO . 16.1 mt -139.28 161.86 36.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 54.6 t -128.17 121.6 56.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.651 ' NE1' ' HB3' ' A' ' 116' ' ' ALA . 6.5 t90 -81.55 100.29 9.29 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -79.67 -42.28 25.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.651 ' HB3' ' NE1' ' A' ' 114' ' ' TRP . . . -45.88 -53.46 9.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.521 ' HB2' ' CE2' ' A' ' 114' ' ' TRP . 0.3 OUTLIER -97.55 175.86 6.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.419 ' HA ' ' HB3' ' A' ' 100' ' ' SER . 7.7 p-10 -113.2 -24.45 9.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 14.9 t -162.34 149.29 13.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.374 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.591 ' CE2' ' CG2' ' A' ' 52' ' ' VAL . 60.7 m95 -66.0 -33.25 75.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 107.972 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 126.05 138.67 4.93 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 8.9 p -122.64 -170.78 2.15 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 132.72 -121.03 2.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 58.2 p -137.71 -50.24 0.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 110.007 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 71.0 m -107.73 110.27 22.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.018 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.48 ' CD1' ' O ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -122.7 155.42 36.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.257 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -143.89 116.75 8.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 110.332 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 15.3 m -108.09 151.61 25.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.103 . . . . 0.0 110.411 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.402 ' HB3' ' HB2' ' A' ' 70' ' ' ARG . . . -150.33 152.09 33.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.364 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.461 HD23 HG23 ' A' ' 138' ' ' VAL . 14.0 tp -118.69 130.42 55.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.54 HG23 ' O ' ' A' ' 136' ' ' GLU . 19.0 mm -111.9 146.77 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.455 ' O ' ' C ' ' A' ' 133' ' ' SER . 2.3 p-10 -100.88 -175.11 2.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 132' ' ' ASN . 1.1 p -34.12 -53.27 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.007 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.451 ' OG1' ' ND2' ' A' ' 132' ' ' ASN . 43.0 p -85.22 158.72 20.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.431 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -67.83 61.99 0.33 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.549 1.156 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' GLU . . . . . 0.54 ' O ' HG23 ' A' ' 131' ' ' ILE . 16.7 tt0 -139.07 147.48 42.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 0.789 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.444 ' HA ' HD13 ' A' ' 131' ' ' ILE . 1.1 tt0 -91.0 141.37 28.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.33 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.472 ' O ' ' N ' ' A' ' 37' ' ' SER . 1.9 m -108.95 -34.79 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.274 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -150.83 157.56 43.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 14.5 ptm -144.26 150.48 37.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.665 ' HG3' ' HB2' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -134.94 97.5 3.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 39.8 tttt -92.66 120.81 33.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.352 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.553 HD21 ' HG2' ' A' ' 32' ' ' GLN . 1.0 OUTLIER -115.02 109.27 17.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.465 ' O ' ' N ' ' A' ' 31' ' ' SER . 3.0 t -111.11 125.71 68.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' ARG . . . . . 0.588 ' HA ' ' CD1' ' A' ' 30' ' ' PHE . 73.7 ttt180 -82.92 141.35 32.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.323 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 4.0 t -91.97 140.87 29.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.026 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 134.34 158.99 8.68 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 0.0 110.964 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.05 164.14 33.86 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.534 1.807 . . . . 0.0 111.021 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 46.1 m -142.57 -59.87 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 110.031 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.48 130.84 38.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.994 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.537 1.148 . . . . 0.0 111.021 179.957 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.4 p -166.93 167.22 14.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 0.733 . . . . 0.0 109.998 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.21 168.69 2.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.994 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.77 -171.9 44.85 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.71 108.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 0.786 . . . . 0.0 109.961 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.7 p -175.26 144.51 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.969 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.22 67.8 0.31 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.46 1.1 . . . . 0.0 111.044 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -43.74 165.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 0.796 . . . . 0.0 110.316 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.7 p -161.26 109.71 1.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.002 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -127.0 136.06 51.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 110.338 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.12 158.67 41.51 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -147.86 172.8 28.11 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -175.7 -154.7 11.71 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.0 p -161.38 143.24 11.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 0.753 . . . . 0.0 110.025 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.475 HG13 ' HB2' ' A' ' 18' ' ' LYS . 8.9 p -46.55 167.04 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.433 ' N ' HG22 ' A' ' 15' ' ' VAL . 11.8 t -91.96 122.38 34.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.416 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp 56.56 95.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.475 ' HB2' HG13 ' A' ' 15' ' ' VAL . 2.1 tptp -167.78 131.16 1.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.69 -71.39 0.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -162.46 116.27 1.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -151.52 121.0 6.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 64.75 151.84 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.6 t -143.41 131.94 22.34 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.153 . . . . 0.0 109.992 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.2 141.24 0.55 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -132.19 103.75 6.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 m -69.7 152.75 44.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.985 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.99 94.82 10.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.9 m 52.18 84.35 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.031 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.5 m -170.94 151.52 3.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.988 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.579 ' CE1' ' HB2' ' A' ' 145' ' ' ARG . 9.2 m-30 -44.04 141.65 1.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 144' ' ' VAL . 3.2 t -68.12 65.84 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.006 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.63 ' HG2' HD21 ' A' ' 143' ' ' LEU . 38.5 mt-30 -42.25 135.91 2.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.574 1.171 . . . . 0.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 1.146 ' CE1' HG23 ' A' ' 144' ' ' VAL . 0.8 OUTLIER -154.42 86.45 1.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.602 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.496 ' CB ' ' HA ' ' A' ' 141' ' ' ARG . . . -109.24 158.68 17.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.087 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.22 110.04 4.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.415 HG21 ' HB2' ' A' ' 41' ' ' ALA . 0.9 OUTLIER -89.58 147.55 23.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 110.379 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 138' ' ' VAL . 4.9 m -156.0 82.27 1.01 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.138 . . . . 0.0 110.01 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 162.34 -142.04 7.66 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.517 1.136 . . . . 0.0 110.99 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.476 ' CB ' ' HB2' ' A' ' 58' ' ' SER . 9.8 mtm180 -99.01 -34.07 10.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.778 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.571 HG23 ' HG2' ' A' ' 62' ' ' GLN . 96.4 t -97.43 167.71 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.542 ' N ' HG12 ' A' ' 40' ' ' VAL . . . -152.22 142.09 22.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.761 ' HA ' HD23 ' A' ' 54' ' ' LEU . 58.8 t -68.99 86.52 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 42' ' ' VAL . 0.1 OUTLIER -38.79 -66.23 0.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.34 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -161.78 129.71 4.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.753 HG22 HG13 ' A' ' 52' ' ' VAL . 8.2 t -116.52 104.76 17.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -43.61 113.22 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.262 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.453 ' O ' ' CD1' ' A' ' 126' ' ' LEU . 5.0 pt-20 -56.32 -36.93 69.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.3 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -58.37 -23.02 55.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.49 62.87 1.83 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.531 1.144 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.1 mtmm -117.52 -49.67 2.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 0.745 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.461 ' CB ' ' HA ' ' A' ' 98' ' ' TRP . 44.7 p90 -148.6 158.72 44.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.753 HG13 HG22 ' A' ' 45' ' ' VAL . 24.6 t -121.05 113.72 40.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -96.45 123.19 40.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 0.0 110.277 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.761 HD23 ' HA ' ' A' ' 42' ' ' VAL . 23.4 mt -117.51 127.67 54.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.4 ' CB ' ' HB2' ' A' ' 43' ' ' GLU . 27.2 ttp180 -118.45 148.97 42.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 58' ' ' SER . 41.2 t-20 -96.57 133.93 40.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -104.33 -27.52 11.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.344 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.674 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 13.1 t -64.33 163.26 13.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.972 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.427 ' C ' ' CB ' ' A' ' 91' ' ' ALA . 17.4 t-20 -96.16 -19.13 19.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.419 ' CG ' ' HD3' ' A' ' 39' ' ' ARG . 2.2 pt-20 -96.56 123.24 40.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -40.08 128.78 2.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.571 ' HG2' HG23 ' A' ' 40' ' ' VAL . 39.1 tp60 -96.12 124.27 40.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.327 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.414 ' N ' ' NE2' ' A' ' 62' ' ' GLN . 2.4 m -89.59 110.03 20.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 15.1 mtp -105.02 41.67 1.31 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.464 1.103 . . . . 0.0 111.005 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.54 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -83.56 58.89 5.01 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.54 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 1.2 m120 153.54 -27.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 0.0 109.318 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.563 ' CG ' ' HA ' ' A' ' 132' ' ' ASN . 18.6 m0 -42.42 161.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 108.014 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -141.24 173.86 11.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.326 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 1.106 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 7.5 mt -134.66 117.58 23.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.724 ' HB2' ' HB3' ' A' ' 129' ' ' ALA . 35.0 mtt-85 -88.98 145.51 25.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.259 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.438 ' NH1' ' OG1' ' A' ' 128' ' ' THR . 0.1 OUTLIER -146.37 110.03 4.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.445 ' CG ' ' HG ' ' A' ' 78' ' ' LEU . 0.8 OUTLIER -124.79 104.58 8.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.122 . . . . 0.0 110.31 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -101.98 147.74 26.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -52.56 140.67 28.94 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 111.005 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 43.54 53.57 5.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 0.747 . . . . 0.0 109.252 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -155.31 159.03 32.06 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 138.67 23.21 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.515 1.797 . . . . 0.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.592 HD23 ' N ' ' A' ' 79' ' ' MET . 1.4 tt -77.53 128.17 33.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.592 ' N ' HD23 ' A' ' 78' ' ' LEU . 0.5 OUTLIER -121.7 155.96 34.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 91.3 m -140.84 103.32 4.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.405 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.434 ' CD1' HD12 ' A' ' 69' ' ' ILE . 39.2 t80 -82.12 104.58 12.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 34.8 ttp85 -86.73 121.48 29.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.267 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 1.106 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 29.1 m-85 -67.31 166.23 22.56 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 111.043 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.507 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.2 Cg_endo -75.02 145.41 31.34 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.485 1.782 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.448 ' HA ' ' C ' ' A' ' 65' ' ' GLY . 18.2 Cg_endo -75.03 29.3 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.55 1.816 . . . . 0.0 111.008 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.507 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.0 OUTLIER -148.59 38.26 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -127.63 129.5 47.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.976 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.1 m -129.76 114.3 15.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.38 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 62' ' ' GLN . 54.9 tp -85.98 95.32 9.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.137 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -47.31 166.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.674 ' HB1' ' O ' ' A' ' 58' ' ' SER . . . -78.6 134.02 37.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 78.31 4.56 86.97 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -89.51 176.02 7.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 0.766 . . . . 0.0 110.254 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 13.1 p -144.27 158.97 15.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 110' ' ' THR . 12.9 p -146.93 151.2 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.349 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 112' ' ' LEU . 21.0 m -126.54 126.71 44.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 110.433 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.549 ' N ' HD12 ' A' ' 97' ' ' ILE . 4.1 mp -113.4 82.92 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.603 ' CG ' ' CB ' ' A' ' 104' ' ' ALA . 42.0 m95 -66.39 162.17 21.0 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.455 ' HB2' ' CD1' ' A' ' 120' ' ' TRP . . . -104.73 141.08 37.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 99' ' ' ALA . 3.8 t -37.67 -56.6 1.04 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.983 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 118' ' ' ASN . . . -42.15 -59.97 2.81 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.03 152.65 2.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 0.79 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -89.12 39.47 3.12 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.475 1.109 . . . . 0.0 111.034 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.603 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -70.07 173.48 6.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 0.794 . . . . 0.0 109.245 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -126.44 115.92 20.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.378 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.501 ' CE1' HD23 ' A' ' 112' ' ' LEU . 13.7 t60 -54.63 110.26 0.62 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.123 . . . . 0.0 109.578 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.48 ' CB ' ' HB2' ' A' ' 111' ' ' ASP . 0.4 OUTLIER -143.06 68.86 18.09 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.548 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.3 Cg_endo -74.98 169.13 23.31 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.552 1.817 . . . . 0.0 110.964 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.548 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -75.03 -12.95 23.96 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 120.983 -2.507 . . . . 0.0 111.019 -0.002 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.64 ' O ' HG23 ' A' ' 95' ' ' VAL . 44.3 p -58.06 -82.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.408 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.512 ' N ' ' OG1' ' A' ' 110' ' ' THR . 74.3 m-20 -73.7 148.78 42.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.501 HD23 ' CE1' ' A' ' 106' ' ' HIS . 44.9 mt -145.72 151.36 37.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 57.3 t -123.95 121.43 62.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.609 ' NE1' ' HB3' ' A' ' 116' ' ' ALA . 7.8 t90 -82.77 97.53 8.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 108.02 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.4 mtpp -78.46 -44.43 24.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.609 ' HB3' ' NE1' ' A' ' 114' ' ' TRP . . . -40.57 -55.57 2.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.515 ' HB2' ' CE2' ' A' ' 114' ' ' TRP . 1.8 mm-40 -92.01 175.87 6.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 101' ' ' GLY . 3.8 p30 -114.41 -26.37 7.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 14.6 t -161.72 129.47 4.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.434 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.455 ' CD1' ' HB2' ' A' ' 99' ' ' ALA . 50.5 m95 -47.04 -45.6 21.55 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 132.99 143.59 5.06 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 2.6 p -119.34 -172.98 2.42 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 127.42 143.59 5.78 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 145' ' ' ARG . 14.0 p -45.07 -33.33 2.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 0.743 . . . . 0.0 110.01 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.536 ' OG ' HG13 ' A' ' 144' ' ' VAL . 1.6 m -120.19 131.45 55.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.942 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.453 ' CD1' ' O ' ' A' ' 47' ' ' GLU . 0.4 OUTLIER -132.53 148.38 52.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 3.5 ttt-85 -136.4 107.67 6.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.288 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.438 ' OG1' ' NH1' ' A' ' 71' ' ' ARG . 29.7 m -113.88 144.94 42.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.391 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.724 ' HB3' ' HB2' ' A' ' 70' ' ' ARG . . . -142.58 158.51 43.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.118 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.483 HD23 HG23 ' A' ' 138' ' ' VAL . 13.6 tp -121.72 129.1 52.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.651 HD13 ' HA ' ' A' ' 137' ' ' GLU . 24.5 mm -110.38 148.79 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.563 ' HA ' ' CG ' ' A' ' 67' ' ' TRP . 6.2 p30 -100.81 -173.33 2.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.49 ' N ' ' CD1' ' A' ' 67' ' ' TRP . 6.4 p -37.72 -46.38 0.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 109.98 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 136' ' ' GLU . 60.3 p -90.75 159.25 16.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 110.376 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -68.75 60.4 0.49 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.517 1.135 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' GLU . . . . . 0.465 ' O ' ' ND2' ' A' ' 132' ' ' ASN . 6.2 tt0 -140.96 139.49 34.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.651 ' HA ' HD13 ' A' ' 131' ' ' ILE . 22.2 tt0 -80.57 140.53 35.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 110.251 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.483 HG23 HD23 ' A' ' 130' ' ' LEU . 2.5 m -111.81 -30.11 2.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.25 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -150.29 160.47 43.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 25.3 ptm -147.8 155.08 41.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.496 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 30.3 ttm-85 -143.09 106.84 4.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.624 ' HG2' ' CE1' ' A' ' 33' ' ' HIS . 17.5 tttt -98.59 133.56 42.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.63 HD21 ' HG2' ' A' ' 32' ' ' GLN . 1.3 mm? -127.8 105.87 8.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 1.146 HG23 ' CE1' ' A' ' 33' ' ' HIS . 23.4 t -113.56 136.94 48.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' ARG . . . . . 0.579 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 71.6 ttt180 -87.73 149.01 24.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 4.7 t -161.09 102.05 1.26 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.981 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -173.98 172.19 45.11 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 174.04 13.47 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.447 1.762 . . . . 0.0 111.033 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.28 135.58 15.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 110.026 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.02 115.29 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.964 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.535 1.147 . . . . 0.0 110.96 179.958 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.6 t -179.09 87.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 0.77 . . . . 0.0 110.001 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.37 138.96 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.004 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.41 105.37 0.19 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.534 1.146 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.3 t -152.38 137.26 17.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 0.779 . . . . 0.0 109.986 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.8 p -143.76 152.54 41.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.029 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.3 108.91 0.49 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.512 1.132 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -133.71 151.04 51.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 0.745 . . . . 0.0 110.36 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.7 t -161.47 156.24 23.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.971 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -170.78 164.89 8.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -146.58 100.1 0.22 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -149.7 -139.26 3.05 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 144.03 164.19 10.3 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.8 m -73.02 -59.2 2.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 0.732 . . . . 0.0 109.988 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 72.4 t 43.04 89.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.5 p -61.69 170.18 2.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 110.388 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -110.26 152.98 25.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.73 172.55 13.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.354 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 55.99 103.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 110.3 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.75 115.71 16.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.8 tp -149.74 139.26 21.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -158.91 146.26 17.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.8 m -128.05 146.9 50.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.017 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 56.1 p -102.33 68.57 1.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -102.49 130.4 49.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.28 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.6 m -81.62 -69.55 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.988 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 62.01 148.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 110.24 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.99 113.6 14.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.988 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.8 p -177.69 154.09 0.92 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.007 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.572 ' CE1' ' HG3' ' A' ' 145' ' ' ARG . 7.8 m-30 -39.23 152.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.934 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 144' ' ' VAL . 3.5 t -67.5 69.87 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.0 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.444 ' O ' ' CG ' ' A' ' 33' ' ' HIS . 53.2 mt-30 -48.63 148.29 2.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.444 ' CG ' ' O ' ' A' ' 32' ' ' GLN . 46.6 m-70 -162.57 78.86 0.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.578 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.481 ' CB ' ' HA ' ' A' ' 141' ' ' ARG . . . -102.18 160.19 14.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.53 108.34 2.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.359 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.3 149.34 26.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.393 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.5 OUTLIER -156.17 82.22 0.99 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 110.005 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 158.63 -140.41 6.91 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.458 ' CB ' ' HB3' ' A' ' 58' ' ' SER . 9.7 mtm180 -98.77 -39.42 8.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 0.787 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.518 HG12 ' N ' ' A' ' 41' ' ' ALA . 83.0 t -89.71 165.84 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.518 ' N ' HG12 ' A' ' 40' ' ' VAL . . . -152.45 132.6 13.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.428 ' CG1' ' HD2' ' A' ' 141' ' ' ARG . 92.1 t -61.14 89.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -42.72 -71.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 45' ' ' VAL . 1.4 tp10 -156.68 138.07 13.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.498 HG22 HG22 ' A' ' 52' ' ' VAL . 4.9 t -125.33 122.29 62.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.407 ' OD2' ' CE2' ' A' ' 51' ' ' PHE . 1.6 t0 -56.01 112.04 1.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.464 ' OE2' ' CZ ' ' A' ' 30' ' ' PHE . 4.6 pt-20 -57.31 -21.76 37.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 110.305 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -73.94 -27.05 60.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.335 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.11 61.58 1.48 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.6 mtpt -119.07 -44.21 2.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.0 109.271 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.626 ' CD2' ' CZ3' ' A' ' 98' ' ' TRP . 28.6 p90 -151.29 160.42 43.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.533 ' O ' HD12 ' A' ' 97' ' ' ILE . 3.8 t -124.04 113.83 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.422 1.076 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.508 ' HG3' HG23 ' A' ' 96' ' ' THR . 0.0 OUTLIER -97.36 122.75 40.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.292 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.415 HD13 HD13 ' A' ' 130' ' ' LEU . 12.1 mt -121.4 130.52 53.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.103 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -121.71 148.48 44.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 -91.51 141.38 28.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -108.18 -29.12 9.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.564 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 93.6 p -64.96 152.27 43.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -87.44 -12.29 46.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.345 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -99.28 131.9 44.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -43.96 133.76 4.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.469 ' HG2' HG23 ' A' ' 40' ' ' VAL . 9.9 tp-100 -106.24 120.75 42.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.7 p -90.49 118.99 30.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.0 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.496 ' HA ' ' CD1' ' A' ' 67' ' ' TRP . 14.4 mtp -109.63 45.89 1.05 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.139 . . . . 0.0 110.959 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.518 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -86.7 56.75 4.69 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.518 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 1.2 m-20 154.54 -23.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.496 ' CD1' ' HA ' ' A' ' 64' ' ' MET . 12.3 m0 -44.79 165.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -149.51 172.5 14.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.351 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.94 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 9.0 mt -131.86 120.96 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.447 ' HB2' ' HB3' ' A' ' 129' ' ' ALA . 2.1 mtt-85 -97.37 119.98 36.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.329 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.498 ' CZ ' ' O ' ' A' ' 120' ' ' TRP . 15.7 tpt180 -126.6 118.29 24.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.936 ' HB2' HD13 ' A' ' 78' ' ' LEU . 14.6 tm0? -133.0 120.03 20.84 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -119.34 140.49 50.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.157 . . . . 0.0 109.349 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -49.59 155.49 2.14 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 49.86 56.45 7.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 174.96 163.11 0.38 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -174.61 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.494 1.786 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.936 HD13 ' HB2' ' A' ' 72' ' ' GLN . 11.3 tp -114.33 126.63 55.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.414 ' CG ' ' HB3' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -108.8 148.13 31.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 110.973 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 14.2 m -132.54 104.97 6.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.379 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.647 ' CD2' HD12 ' A' ' 69' ' ' ILE . 46.5 t80 -87.71 99.97 12.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 111.038 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.2 ttp-105 -82.26 120.97 26.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.94 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 22.9 m-85 -65.14 166.8 11.62 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.969 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.42 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 18.3 Cg_endo -75.0 149.03 36.09 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.481 1.78 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.49 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.2 Cg_endo -74.98 4.13 5.0 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.479 1.779 . . . . 0.0 110.967 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.12 48.76 2.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -129.12 134.81 48.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.9 m -134.79 106.7 7.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.447 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.403 ' HB2' ' SD ' ' A' ' 64' ' ' MET . 55.8 tp -85.92 93.6 8.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -44.87 166.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.263 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.564 ' HB1' ' O ' ' A' ' 58' ' ' SER . . . -78.49 134.25 37.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.73 6.79 87.21 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.491 1.119 . . . . 0.0 111.045 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -92.59 169.78 10.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 110.303 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.5 p -140.32 158.42 25.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.5 p -147.66 145.23 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.508 HG23 ' HG3' ' A' ' 53' ' ' ARG . 13.7 m -118.36 127.54 53.78 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.108 . . . . 0.0 110.39 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.533 HD12 ' O ' ' A' ' 52' ' ' VAL . 4.1 mp -110.66 84.99 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.626 ' CZ3' ' CD2' ' A' ' 51' ' ' PHE . 27.0 m95 -71.89 165.22 24.59 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 101' ' ' GLY . . . -105.48 142.18 35.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 99' ' ' ALA . 13.4 t -38.47 -30.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.001 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 99' ' ' ALA . . . -112.22 65.27 0.26 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -147.91 23.92 1.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.775 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 39.6 38.4 1.03 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.141 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.461 ' CB ' ' CB ' ' A' ' 98' ' ' TRP . . . -91.74 -161.45 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.757 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -154.03 123.13 6.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.406 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.507 ' NE2' ' HG3' ' A' ' 108' ' ' PRO . 20.3 t60 -60.76 96.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.62 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.447 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 0.5 OUTLIER -133.83 62.48 58.31 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.014 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.584 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.4 Cg_endo -75.0 170.77 19.7 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.533 1.807 . . . . 0.0 110.999 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.584 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.2 Cg_endo -75.03 -14.38 23.19 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 121.001 -2.5 . . . . 0.0 110.983 0.039 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 107' ' ' SER . 62.1 p -53.64 -71.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.394 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 108' ' ' PRO . 3.2 m-20 -96.57 148.5 22.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.541 ' CD2' ' HB3' ' A' ' 108' ' ' PRO . 14.7 mt -142.0 157.82 44.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 57.0 t -127.6 125.79 66.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.747 ' NE1' ' HB3' ' A' ' 116' ' ' ALA . 6.1 t90 -82.86 102.15 11.45 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -78.78 -38.12 39.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.245 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.747 ' HB3' ' NE1' ' A' ' 114' ' ' TRP . . . -53.33 -49.56 66.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.517 ' HB2' ' CE2' ' A' ' 114' ' ' TRP . 0.8 OUTLIER -106.86 175.38 5.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.27 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -136.72 17.4 3.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 5.9 t -175.76 144.53 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.396 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.498 ' O ' ' CZ ' ' A' ' 71' ' ' ARG . 52.4 m95 -92.25 19.03 7.41 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.462 ' O ' ' NH2' ' A' ' 71' ' ' ARG . . . 70.27 128.67 0.06 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.132 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 26.2 p -112.62 -166.03 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 123.16 161.53 11.22 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.453 1.095 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.3 p -63.61 -22.85 67.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.74 . . . . 0.0 110.025 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 68.6 p -118.55 129.0 55.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.033 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.454 HD22 HH21 ' A' ' 71' ' ' ARG . 0.7 OUTLIER -139.87 147.82 41.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.405 ' HB2' ' NH1' ' A' ' 127' ' ' ARG . 18.8 ttm105 -148.57 97.99 2.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.419 ' OG1' ' HD3' ' A' ' 71' ' ' ARG . 3.3 m -91.97 157.14 16.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.08 . . . . 0.0 110.402 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.447 ' HB3' ' HB2' ' A' ' 70' ' ' ARG . . . -156.58 153.27 28.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.423 HD23 HG23 ' A' ' 138' ' ' VAL . 13.8 tp -120.75 131.6 54.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.824 HD13 ' HA ' ' A' ' 137' ' ' GLU . 23.5 mm -113.58 147.94 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 136' ' ' GLU . 7.9 p30 -98.66 -168.25 1.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.451 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . 0.1 OUTLIER -38.23 -59.6 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.023 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 136' ' ' GLU . 5.7 t -81.47 160.84 23.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 110.395 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -67.82 63.94 0.32 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.559 1.162 . . . . 0.0 111.039 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' GLU . . . . . 0.445 ' O ' ' ND2' ' A' ' 132' ' ' ASN . 17.0 tt0 -141.94 134.35 28.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 0.761 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.824 ' HA ' HD13 ' A' ' 131' ' ' ILE . 10.8 tt0 -76.81 143.57 39.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.571 1.169 . . . . 0.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 37' ' ' SER . 1.1 m -114.05 -33.96 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -144.65 157.29 44.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 13.7 ptm -140.43 154.34 46.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.481 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 18.0 ttm-85 -139.81 89.18 2.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 48.6 tttt -79.48 145.05 33.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 109.26 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.431 HD22 ' HB3' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -150.09 118.29 6.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.479 ' O ' ' N ' ' A' ' 31' ' ' SER . 5.0 t -126.83 124.05 64.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' ARG . . . . . 0.572 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 48.7 ttt85 -77.01 139.61 40.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 27.9 t -81.68 126.67 32.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.022 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 179.55 168.25 38.13 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.542 1.151 . . . . 0.0 110.957 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 157.8 42.75 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 111.04 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -135.03 102.74 5.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 80.6 p -169.03 135.55 1.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.01 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.531 1.145 . . . . 0.0 110.991 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t 67.28 144.9 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 0.776 . . . . 0.0 109.994 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.7 p 178.94 170.16 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.992 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.31 175.14 37.94 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.08 172.43 7.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 m -127.07 79.45 1.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.99 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 47.16 -174.6 0.01 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.509 1.13 . . . . 0.0 110.962 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 178.28 163.44 0.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 0.776 . . . . 0.0 110.243 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.5 t -168.4 115.87 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.974 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -138.88 157.53 45.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -144.05 179.21 21.54 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.531 1.144 . . . . 0.0 111.036 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 158.39 140.11 2.84 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -145.15 179.76 22.03 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.29 160.01 0.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 0.744 . . . . 0.0 110.002 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.4 m -113.37 -40.39 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.5 m 44.95 77.77 0.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 110.426 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.67 135.29 53.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.1 tptm -130.11 175.63 8.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.34 160.68 32.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.31 79.16 4.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -171.68 107.08 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -48.43 141.64 6.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.282 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.7 p -135.24 -50.66 0.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.987 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.8 m 50.16 79.99 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.002 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -46.49 134.0 9.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.6 t -167.55 149.91 5.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.004 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 63.27 125.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.3 t -105.61 97.2 7.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.964 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 30' ' ' PHE . 6.8 p 176.65 88.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.017 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.551 ' CD1' ' HA ' ' A' ' 145' ' ' ARG . 7.3 m-30 58.79 150.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 144' ' ' VAL . 16.7 m -68.55 66.59 0.12 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.006 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.439 HE21 ' HB2' ' A' ' 32' ' ' GLN . 5.5 mt-30 -45.83 149.03 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.268 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 39.0 m-70 -157.42 77.7 0.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.641 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -89.96 163.16 15.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.0 100.81 0.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.34 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.89 148.66 26.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 110.396 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.9 OUTLIER -156.03 81.94 1.0 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.015 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.68 -128.44 2.0 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.431 1.082 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.2 mtm-85 -114.61 -37.41 4.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 110.32 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.684 HG21 ' OE1' ' A' ' 62' ' ' GLN . 40.7 t -92.79 146.98 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -135.02 136.4 42.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.252 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.614 ' CG1' HG23 ' A' ' 45' ' ' VAL . 30.7 t -64.19 90.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.76 -69.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 110.308 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -156.02 127.63 7.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.847 HG22 HG13 ' A' ' 52' ' ' VAL . 9.1 t -117.36 110.16 30.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -50.53 112.41 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.335 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.713 ' HB3' HD22 ' A' ' 143' ' ' LEU . 7.7 pt-20 -59.96 -36.87 78.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -57.74 -23.86 54.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.285 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 85.04 67.04 1.42 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -123.77 -45.09 2.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 0.795 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.558 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 45.7 p90 -156.34 156.95 34.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.847 HG13 HG22 ' A' ' 45' ' ' VAL . 24.4 t -120.06 115.98 49.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.353 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.71 122.83 44.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.778 HD11 HD13 ' A' ' 69' ' ' ILE . 4.4 mt -120.5 136.29 54.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -127.65 147.69 50.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.267 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.442 ' OD1' ' N ' ' A' ' 57' ' ' LYS . 54.2 t-20 -89.43 143.66 26.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.09 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.442 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 3.1 mmtp -108.53 -28.83 9.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 72.3 p -61.26 174.1 0.75 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.96 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.478 ' C ' ' CB ' ' A' ' 91' ' ' ALA . 1.6 p30 -103.0 -18.68 14.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.45 ' C ' ' HB2' ' A' ' 91' ' ' ALA . 5.8 mt-10 -103.67 137.02 42.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.332 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.37 134.81 6.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.684 ' OE1' HG21 ' A' ' 40' ' ' VAL . 0.9 OUTLIER -95.3 126.91 40.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.478 ' N ' HE21 ' A' ' 62' ' ' GLN . 0.7 OUTLIER -88.67 92.12 9.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.997 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.597 ' HA ' ' CD1' ' A' ' 67' ' ' TRP . 4.9 mtp -88.63 53.19 2.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -89.77 115.79 4.62 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.5 OUTLIER 82.19 6.25 1.04 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 0.763 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.65 ' CZ2' ' NE2' ' A' ' 62' ' ' GLN . 11.3 m0 -67.96 169.35 10.12 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.531 ' O ' HD12 ' A' ' 130' ' ' LEU . 8.8 mt-30 -152.52 166.45 31.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.908 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 1.2 mt -132.95 107.4 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 129' ' ' ALA . 3.9 mtt-85 -75.5 146.53 40.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.369 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.408 ' CZ ' ' HB3' ' A' ' 120' ' ' TRP . 4.3 tpt180 -144.49 89.55 2.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.357 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.536 ' HB2' HD13 ' A' ' 78' ' ' LEU . 1.3 tm0? -97.91 107.31 19.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 0.0 110.296 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -108.15 149.39 28.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -70.04 147.5 44.69 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.526 1.141 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.7 t70 49.81 54.89 10.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 0.779 . . . . 0.0 109.335 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -179.67 167.32 0.82 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 164.56 33.13 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.551 1.817 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.536 HD13 ' HB2' ' A' ' 72' ' ' GLN . 6.1 tp -103.91 121.83 43.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -105.49 159.0 16.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.961 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.9 m -144.12 94.62 2.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.401 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -67.09 99.02 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.5 124.07 29.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.267 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.908 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 25.7 m-85 -75.61 168.68 25.57 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.441 ' HD2' ' HB3' ' A' ' 83' ' ' PHE . 18.4 Cg_endo -74.96 163.72 34.84 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.541 1.811 . . . . 0.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 0.37 8.98 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.506 1.793 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.07 68.62 1.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.794 ' HZ ' HG21 ' A' ' 95' ' ' VAL . 19.5 t80 -129.41 90.71 3.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.88 113.74 25.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.37 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 53.6 tp -94.35 95.77 9.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -41.06 160.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.251 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.478 ' CB ' ' C ' ' A' ' 59' ' ' ASN . . . -76.15 135.64 39.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.96 7.74 81.83 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -92.59 171.69 8.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 110.272 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.9 p -137.98 160.01 33.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.794 HG21 ' HZ ' ' A' ' 87' ' ' PHE . 2.3 p -145.99 136.9 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.421 ' O ' ' N ' ' A' ' 112' ' ' LEU . 33.3 m -111.54 131.05 55.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.378 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.534 HD12 ' O ' ' A' ' 52' ' ' VAL . 4.4 mp -116.32 82.07 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.649 ' CG ' ' CB ' ' A' ' 104' ' ' ALA . 47.0 m95 -67.16 162.42 22.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 107.989 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 100' ' ' SER . . . -107.48 142.67 36.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 99' ' ' ALA . 5.3 t -38.79 -45.95 1.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.98 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -49.04 -59.21 7.06 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.77 162.26 1.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 0.757 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -97.88 48.9 1.44 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.649 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -83.12 -172.66 4.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 0.742 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.27 125.78 19.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.411 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.486 ' NE2' ' HG3' ' A' ' 108' ' ' PRO . 19.8 t60 -59.6 94.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.578 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.76 68.58 79.07 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.563 ' HB3' HD21 ' A' ' 112' ' ' LEU . 18.4 Cg_endo -74.98 169.31 22.91 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.481 1.78 . . . . 0.0 111.03 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.556 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -75.04 -17.22 20.34 Favored 'Cis proline' 0 C--N 1.361 1.186 0 C-N-CA 120.946 -2.523 . . . . 0.0 110.98 0.053 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.678 ' O ' HG23 ' A' ' 95' ' ' VAL . 40.7 p -55.38 -88.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.437 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -72.12 147.68 46.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.681 HD11 ' HE2' ' A' ' 87' ' ' PHE . 16.9 mt -144.4 165.16 28.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 72.0 t -135.09 123.75 40.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.472 ' CD2' ' HB2' ' A' ' 117' ' ' GLN . 5.1 t90 -85.33 93.05 8.62 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -77.89 -37.6 47.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -52.3 -43.18 64.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.472 ' HB2' ' CD2' ' A' ' 114' ' ' TRP . 1.2 mm100 -105.26 175.01 5.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 110.274 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -114.91 -16.08 11.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 8.9 t -174.47 144.79 0.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.411 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.554 ' CE2' ' CG2' ' A' ' 52' ' ' VAL . 77.5 m95 -60.25 -17.96 45.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 107.988 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 103.54 163.02 25.26 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.49 ' HA ' ' CD2' ' A' ' 126' ' ' LEU . 1.2 p -159.07 -178.64 7.37 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 125' ' ' SER . . . 131.63 42.72 0.18 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.53 1.144 . . . . 0.0 110.944 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.452 ' CB ' ' HB3' ' A' ' 145' ' ' ARG . 0.1 OUTLIER 67.6 -65.93 0.22 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 0.764 . . . . 0.0 110.049 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 123' ' ' GLY . 22.4 p -76.42 122.84 25.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.997 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.49 ' CD2' ' HA ' ' A' ' 122' ' ' CYS . 0.7 OUTLIER -140.78 146.62 37.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 39.9 ttt180 -148.86 96.28 2.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.28 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 52.1 m -95.46 153.41 17.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 110.399 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 70' ' ' ARG . . . -158.85 156.35 29.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.776 HD23 ' CG2' ' A' ' 138' ' ' VAL . 13.3 tp -116.88 127.98 54.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.474 ' O ' ' N ' ' A' ' 68' ' ' GLN . 18.0 mm -115.92 113.52 43.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.777 HD22 HG13 ' A' ' 138' ' ' VAL . 0.9 OUTLIER -63.29 178.55 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 132' ' ' ASN . 0.0 OUTLIER -35.88 -50.0 0.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.965 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 136' ' ' GLU . 10.7 p -83.52 159.8 21.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 110.399 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -68.42 60.02 0.44 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.473 1.108 . . . . 0.0 110.957 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' GLU . . . . . 0.452 ' O ' ' ND2' ' A' ' 132' ' ' ASN . 20.1 tt0 -137.65 142.11 41.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.761 . . . . 0.0 110.257 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.457 ' HA ' ' O ' ' A' ' 130' ' ' LEU . 6.8 tt0 -90.71 140.03 30.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.259 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.777 HG13 HD22 ' A' ' 132' ' ' ASN . 2.9 m -109.04 -39.74 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.36 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -143.59 159.53 42.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 15.0 ptm -145.66 140.13 27.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.981 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 18.5 ttt85 -126.42 89.98 3.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.472 ' O ' HD12 ' A' ' 143' ' ' LEU . 75.0 tttt -82.14 150.19 27.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.713 HD22 ' HB3' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -157.0 116.82 3.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.469 ' O ' ' N ' ' A' ' 31' ' ' SER . 12.2 t -126.88 127.02 69.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' ARG . . . . . 0.551 ' HA ' ' CD1' ' A' ' 30' ' ' PHE . 71.5 ttt180 -77.29 151.0 35.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.302 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 1.3 t -96.3 120.44 36.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.001 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -172.84 173.84 45.63 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.53 1.143 . . . . 0.0 111.019 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 161.5 38.59 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.51 1.795 . . . . 0.0 110.968 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 36.2 t -104.46 108.25 19.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.03 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 7.8 p -116.01 120.2 38.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.976 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.515 1.135 . . . . 0.0 110.98 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t -175.92 159.64 2.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 0.758 . . . . 0.0 110.031 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -166.37 169.08 14.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.97 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.82 -172.37 19.86 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.452 1.095 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -178.02 170.68 1.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 0.758 . . . . 0.0 109.984 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.1 p -173.66 169.02 4.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.059 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.6 171.21 37.52 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.542 1.151 . . . . 0.0 110.983 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -177.02 169.84 2.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 0.794 . . . . 0.0 110.304 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.8 p -161.41 169.5 21.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.005 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.1 pm0 -172.01 157.86 4.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.302 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.08 178.62 37.83 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.486 1.116 . . . . 0.0 110.959 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -126.04 -173.88 13.72 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -171.92 -157.23 13.34 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.45 127.03 0.53 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 0.751 . . . . 0.0 109.998 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.7 m -108.65 141.62 23.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.1 t -174.47 157.96 2.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.404 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.95 113.45 10.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -149.66 128.26 12.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -93.89 106.29 18.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.21 134.27 0.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.5 -63.44 1.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -168.61 115.84 0.66 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.25 82.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 109.98 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.5 t 39.72 86.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.965 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -121.33 92.82 3.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.258 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.29 142.22 39.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.029 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.3 mtt-85 -143.05 109.69 5.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.304 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.13 -61.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.03 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.434 ' O ' ' O ' ' A' ' 30' ' ' PHE . 34.7 p -162.56 115.26 1.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 110.038 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.597 ' CD2' ' CD ' ' A' ' 47' ' ' GLU . 9.6 m-30 58.31 146.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 111.033 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 144' ' ' VAL . 4.3 t -67.49 68.92 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 110.012 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.685 ' HG2' HD11 ' A' ' 143' ' ' LEU . 26.0 mt-30 -52.65 130.06 31.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.624 ' CD2' ' HB3' ' A' ' 142' ' ' LYS . 0.0 OUTLIER -153.44 111.75 3.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 109.574 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.494 ' CB ' ' HA ' ' A' ' 141' ' ' ARG . . . -129.7 163.8 25.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -143.81 112.45 6.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 110.285 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -92.51 147.51 22.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.424 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.4 OUTLIER -155.68 81.76 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.038 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.9 -144.21 9.87 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.8 mtm-85 -97.75 -36.6 10.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 0.736 . . . . 0.0 110.333 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.578 HG22 ' OD1' ' A' ' 56' ' ' ASN . 95.5 t -95.39 160.34 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.723 ' HB3' ' HD3' ' A' ' 57' ' ' LYS . . . -147.33 153.4 39.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.509 ' CG1' HG23 ' A' ' 45' ' ' VAL . 13.6 t -78.74 88.56 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.22 -60.96 0.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.332 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -168.17 133.48 1.82 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.841 HG22 HG13 ' A' ' 52' ' ' VAL . 7.1 t -120.13 109.73 26.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -44.71 115.1 0.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.597 ' CD ' ' CD2' ' A' ' 30' ' ' PHE . 6.2 pt-20 -58.86 -35.79 73.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 110.302 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.99 -28.43 67.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.05 67.04 1.26 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.525 1.141 . . . . 0.0 111.01 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.467 ' HD2' ' CB ' ' A' ' 102' ' ' ALA . 0.1 OUTLIER -123.04 -52.25 1.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 0.808 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.573 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 27.5 p90 -144.13 156.71 44.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.841 HG13 HG22 ' A' ' 45' ' ' VAL . 44.8 t -118.24 114.61 45.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.16 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.533 ' HG3' HG23 ' A' ' 96' ' ' THR . 0.2 OUTLIER -97.27 128.22 43.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.247 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.414 HD11 HD13 ' A' ' 69' ' ' ILE . 6.6 mt -126.33 131.14 51.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -120.69 147.85 44.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.297 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.578 ' OD1' HG22 ' A' ' 40' ' ' VAL . 17.2 t-20 -98.47 109.88 22.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.723 ' HD3' ' HB3' ' A' ' 41' ' ' ALA . 0.8 OUTLIER -76.4 -36.25 58.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 84.0 p -59.16 153.79 17.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.022 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.43 ' HA ' ' HB1' ' A' ' 91' ' ' ALA . 3.9 p30 -98.41 27.89 4.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.123 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.433 ' C ' ' HB2' ' A' ' 91' ' ' ALA . 8.6 mm-40 -134.64 133.47 40.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -54.99 115.42 2.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.08 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.424 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 73.4 tp60 -100.52 118.89 37.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.34 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.64 145.06 43.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 109.965 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.442 ' HA ' ' CD1' ' A' ' 67' ' ' TRP . 0.3 OUTLIER -133.01 34.5 3.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.954 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.496 ' CA ' ' HA ' ' A' ' 85' ' ' PRO . . . -78.82 56.57 4.26 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER 158.04 -26.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 0.729 . . . . 0.0 109.352 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.442 ' CD1' ' HA ' ' A' ' 64' ' ' MET . 13.7 m0 -44.09 162.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 108.007 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -146.12 170.0 17.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.295 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 1.067 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 4.6 mt -132.34 118.28 35.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.43 ' NE ' HD21 ' A' ' 78' ' ' LEU . 0.3 OUTLIER -97.65 128.61 44.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.575 1.172 . . . . 0.0 110.268 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -131.06 121.38 24.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.489 ' HB2' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -129.52 115.37 17.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.444 ' ND2' ' C ' ' A' ' 121' ' ' GLY . 0.8 OUTLIER -114.07 133.56 55.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 37.84 -139.45 0.53 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.63 73.97 2.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 109.33 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.43 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 0.2 OUTLIER -132.26 174.66 4.44 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.43 ' CD ' ' CB ' ' A' ' 76' ' ' ASP . 18.2 Cg_endo -74.98 114.03 3.93 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.489 HD13 ' HB2' ' A' ' 72' ' ' GLN . 10.0 tp -53.07 127.23 23.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.422 ' N ' HD12 ' A' ' 78' ' ' LEU . 0.3 OUTLIER -108.83 126.23 52.82 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.407 HG23 ' HG3' ' A' ' 70' ' ' ARG . 56.4 m -114.52 100.63 8.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.356 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.514 ' HB2' ' CH2' ' A' ' 114' ' ' TRP . 60.5 t80 -82.57 98.96 9.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -76.8 124.67 28.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 1.067 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 13.7 m-85 -68.68 167.85 17.45 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.418 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 18.3 Cg_endo -74.94 146.51 33.0 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.484 1.781 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.496 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.4 Cg_endo -74.97 11.61 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.536 1.809 . . . . 0.0 111.033 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.404 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.3 OUTLIER -132.83 47.54 2.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.487 ' HZ ' HG21 ' A' ' 95' ' ' VAL . 19.6 t80 -128.55 147.85 50.73 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.1 m -147.39 112.66 5.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 110.429 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 47.8 tp -84.06 98.09 9.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -49.59 170.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.433 ' HB2' ' C ' ' A' ' 60' ' ' GLU . . . -82.75 134.5 35.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 71.69 6.08 62.13 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -89.63 174.57 7.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 0.768 . . . . 0.0 110.317 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 11.3 p -142.15 157.23 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 110' ' ' THR . 14.4 p -142.56 148.63 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.533 HG23 ' HG3' ' A' ' 53' ' ' ARG . 2.9 m -122.75 130.5 53.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.391 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.511 HD12 ' O ' ' A' ' 52' ' ' VAL . 4.6 mp -116.09 80.85 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.611 ' CG ' ' CB ' ' A' ' 104' ' ' ALA . 34.8 m95 -67.05 162.91 21.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 107.979 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.442 ' HB1' ' HA ' ' A' ' 119' ' ' THR . . . -107.94 145.11 34.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.2 t -38.83 -57.99 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -43.59 -53.45 6.06 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.467 ' CB ' ' HD2' ' A' ' 50' ' ' LYS . . . -54.83 148.05 13.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 0.754 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -88.46 42.68 3.08 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.531 1.145 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.611 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -76.99 174.61 10.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -125.69 116.02 21.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 110.396 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -53.26 111.5 0.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.589 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.494 ' CB ' ' HB2' ' A' ' 111' ' ' ASP . 0.2 OUTLIER -144.28 68.66 15.55 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.011 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.544 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.2 Cg_endo -74.97 169.76 21.91 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.514 1.797 . . . . 0.0 110.979 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.544 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -74.95 -10.11 23.97 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.041 -2.483 . . . . 0.0 110.998 -0.051 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.649 ' O ' HG23 ' A' ' 95' ' ' VAL . 34.4 p -60.96 -82.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.403 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.494 ' HB2' ' CB ' ' A' ' 107' ' ' SER . 77.9 m-20 -73.08 146.07 46.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.095 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.469 ' CD2' ' HB3' ' A' ' 108' ' ' PRO . 13.4 mt -143.92 149.07 36.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.336 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 53.9 t -122.13 117.61 52.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.571 ' HE1' ' HB3' ' A' ' 116' ' ' ALA . 6.4 t90 -79.45 99.08 7.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 108.017 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -80.78 -44.39 18.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.571 ' HB3' ' HE1' ' A' ' 114' ' ' TRP . . . -43.47 -43.84 5.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.486 ' HB2' ' CD2' ' A' ' 114' ' ' TRP . 1.1 mm-40 -100.22 176.02 5.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.305 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -114.85 -20.39 10.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.442 ' HA ' ' HB1' ' A' ' 99' ' ' ALA . 9.1 t -170.22 156.93 6.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.42 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.406 ' CE2' HG23 ' A' ' 52' ' ' VAL . 61.3 m95 -75.16 -21.9 58.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 108.008 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.444 ' C ' ' ND2' ' A' ' 73' ' ' ASN . . . 108.61 145.94 11.71 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 6.0 p -118.05 -172.04 2.18 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 124.75 140.99 5.59 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 24.1 p -43.06 -46.91 5.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 109.996 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.0 m -100.41 127.12 46.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.143 . . . . 0.0 109.971 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.524 HD13 ' O ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -134.53 146.08 49.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -143.3 122.8 13.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 23.0 m -120.39 163.48 17.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.421 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -158.44 153.44 25.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.251 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.453 HD23 HG23 ' A' ' 138' ' ' VAL . 13.3 tp -120.82 131.0 54.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.417 HD13 ' HA ' ' A' ' 137' ' ' GLU . 12.7 mm -112.6 147.25 16.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.656 ' OD1' HG22 ' A' ' 134' ' ' THR . 7.2 p30 -101.44 -170.16 1.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 132' ' ' ASN . 6.9 p -34.28 -60.08 0.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.996 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.656 HG22 ' OD1' ' A' ' 132' ' ' ASN . 2.3 t -83.13 162.31 21.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 110.356 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -68.29 59.46 0.42 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.451 1.094 . . . . 0.0 111.004 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' GLU . . . . . 0.448 ' HB3' HG23 ' A' ' 134' ' ' THR . 20.9 tt0 -133.54 141.23 47.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 0.775 . . . . 0.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.433 ' HG2' ' N ' ' A' ' 138' ' ' VAL . 1.9 tt0 -87.68 141.94 28.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 37' ' ' SER . 3.3 m -109.62 -36.46 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -150.32 158.21 43.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 19.2 ptm -145.11 137.46 25.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.494 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 18.8 ttm-85 -118.17 117.61 29.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.253 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.624 ' HB3' ' CD2' ' A' ' 33' ' ' HIS . 10.5 tttt -108.13 131.64 54.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.685 HD11 ' HG2' ' A' ' 32' ' ' GLN . 1.0 OUTLIER -128.13 107.3 9.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.496 ' O ' ' N ' ' A' ' 31' ' ' SER . 2.4 t -115.51 133.27 62.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' ARG . . . . . 0.581 ' HA ' ' CD1' ' A' ' 30' ' ' PHE . 44.5 ttt180 -85.37 137.18 33.11 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 34.2 t -92.09 102.34 14.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.982 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -170.18 -144.21 4.23 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 159.02 41.97 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.478 1.778 . . . . 0.0 111.036 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.93 -61.11 1.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.018 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 98.1 p -160.92 94.91 1.04 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.029 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.4 t -179.96 103.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 0.767 . . . . 0.0 109.996 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -178.24 164.28 1.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.002 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.92 173.17 23.77 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.08 128.3 20.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 0.756 . . . . 0.0 109.98 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t -93.47 148.25 22.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.986 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -44.54 162.04 0.08 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.474 1.109 . . . . 0.0 110.973 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -157.01 86.02 0.96 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 0.748 . . . . 0.0 110.299 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.77 95.27 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.019 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -129.84 169.09 15.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -102.14 -119.63 4.58 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 141.14 162.63 9.2 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -125.17 -166.97 12.48 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.95 88.95 1.56 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 0.783 . . . . 0.0 110.019 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 68.2 t -123.1 90.27 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 67.2 p -101.92 116.45 32.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 110.422 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -165.6 136.6 3.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.86 119.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.2 mtm-85 -158.73 93.33 1.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.321 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.61 48.15 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.3 mt -121.76 134.25 54.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -166.85 147.47 5.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.262 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 92.4 p -152.78 132.48 13.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.042 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 72.8 m -143.99 129.51 19.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 110.015 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -120.1 153.34 36.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.61 -60.36 1.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.015 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -56.5 153.9 9.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 110.325 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 t -178.79 141.38 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.018 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -88.59 155.12 19.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.955 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.598 ' CD2' ' OE1' ' A' ' 47' ' ' GLU . 7.9 m-30 58.37 152.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.478 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 25.2 m -68.21 66.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.992 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.479 ' NE2' ' NH1' ' A' ' 141' ' ' ARG . 0.1 OUTLIER -47.17 145.12 2.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.319 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.478 ' CD2' ' O ' ' A' ' 31' ' ' SER . 76.1 m-70 -155.85 74.71 0.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.61 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.492 ' HB2' ' HG3' ' A' ' 141' ' ' ARG . . . -103.97 151.86 22.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.0 mmt85 -153.91 117.27 4.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.252 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.485 HG21 ' HB2' ' A' ' 41' ' ' ALA . 0.9 OUTLIER -96.06 148.18 22.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.36 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 138' ' ' VAL . 5.6 m -156.25 82.11 0.99 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.95 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 164.62 -145.06 9.91 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -94.65 -39.41 10.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 0.793 . . . . 0.0 110.316 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.694 ' CG2' HD23 ' A' ' 89' ' ' LEU . 48.8 t -97.71 165.04 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.485 ' HB2' HG21 ' A' ' 36' ' ' THR . . . -145.41 158.06 43.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.457 ' CG1' HG23 ' A' ' 45' ' ' VAL . 20.6 t -82.72 85.15 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.245 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -39.6 -69.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.239 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -156.74 130.93 8.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.279 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.837 HG22 HG13 ' A' ' 52' ' ' VAL . 10.9 t -120.61 106.15 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.58 110.71 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.598 ' OE1' ' CD2' ' A' ' 30' ' ' PHE . 7.5 pt-20 -56.8 -36.81 70.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.326 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -58.81 -16.53 17.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.42 58.47 3.11 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.468 1.105 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.0 mtmm -111.26 -46.81 3.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 0.781 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.548 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 49.6 p90 -156.89 155.43 31.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 110.983 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.837 HG13 HG22 ' A' ' 45' ' ' VAL . 34.2 t -116.7 112.98 41.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.506 ' CG ' ' OG1' ' A' ' 96' ' ' THR . 0.0 OUTLIER -101.78 126.56 48.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.312 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.8 mt -121.64 134.54 54.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.348 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -121.37 150.25 41.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 110.263 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 58' ' ' SER . 31.6 t-20 -93.82 142.91 26.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -112.37 -32.31 6.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.25 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.47 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 1.4 t -61.1 169.78 1.9 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.546 1.153 . . . . 0.0 110.02 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.505 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 2.5 p30 -94.71 -26.12 16.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -97.92 136.9 37.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -42.71 157.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.678 ' HG3' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -119.26 100.6 7.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.279 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.489 ' N ' ' NE2' ' A' ' 62' ' ' GLN . 5.8 p -64.36 113.59 3.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.037 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -110.34 45.28 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.487 ' CA ' ' HA ' ' A' ' 85' ' ' PRO . . . -86.88 54.29 4.57 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.9 OUTLIER 157.77 -26.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 0.797 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.461 ' CE2' ' OE1' ' A' ' 62' ' ' GLN . 11.5 m0 -44.04 163.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 107.973 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.519 ' O ' HD12 ' A' ' 130' ' ' LEU . 7.6 mt-30 -147.82 171.92 14.96 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.894 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 4.2 mt -131.7 121.21 47.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.09 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.711 ' HB2' ' HB3' ' A' ' 129' ' ' ALA . 3.9 mtp85 -93.63 145.38 24.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.329 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.42 ' NH1' ' OG1' ' A' ' 128' ' ' THR . 0.1 OUTLIER -145.07 107.25 4.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -115.72 96.2 5.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -96.31 145.81 25.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -63.74 150.65 49.77 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.443 1.089 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.7 t0 49.49 37.36 12.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -156.48 160.64 30.61 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 164.81 32.61 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.483 1.78 . . . . 0.0 110.979 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 14.9 tp -94.71 126.58 40.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.1 mpp? -116.22 157.09 25.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.964 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 73.0 m -140.93 114.41 8.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.427 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.445 ' CD2' HD12 ' A' ' 69' ' ' ILE . 86.4 t80 -93.05 98.02 11.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.31 123.63 27.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.894 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 15.2 m-85 -69.94 166.43 32.83 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.988 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.473 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.3 Cg_endo -75.01 146.1 32.19 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.492 1.785 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.487 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.5 Cg_endo -74.97 18.27 0.54 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.477 1.777 . . . . 0.0 111.024 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.473 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.0 OUTLIER -140.34 43.38 1.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -123.39 149.16 45.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 m -149.4 112.68 4.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.428 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.694 HD23 ' CG2' ' A' ' 40' ' ' VAL . 44.6 tp -86.39 93.48 9.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -45.17 166.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 59' ' ' ASN . . . -79.46 135.85 36.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.33 3.02 64.49 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -88.02 175.3 7.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 0.0 110.247 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.441 HG22 HH11 ' A' ' 53' ' ' ARG . 11.9 p -145.91 154.07 13.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.538 1.149 . . . . 0.0 109.254 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 110' ' ' THR . 8.6 p -141.2 146.39 23.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.506 ' OG1' ' CG ' ' A' ' 53' ' ' ARG . 93.0 m -120.0 131.68 55.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 110.415 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.483 HD12 ' O ' ' A' ' 52' ' ' VAL . 4.6 mp -117.54 79.89 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.548 ' CE3' ' HB3' ' A' ' 51' ' ' PHE . 43.7 m95 -64.17 164.85 10.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 108.008 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 100' ' ' SER . . . -109.89 144.42 38.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 99' ' ' ALA . 3.3 t -37.5 -59.31 0.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.994 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 118' ' ' ASN . . . -37.34 -65.77 0.59 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 111.034 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.5 150.56 1.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 0.754 . . . . 0.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -91.21 45.89 2.83 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.447 1.092 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.438 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -74.25 -177.95 3.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 0.763 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.49 115.77 16.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.447 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.45 ' CE1' HD23 ' A' ' 112' ' ' LEU . 11.5 t60 -55.03 109.72 0.56 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.614 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.488 ' CB ' ' HB2' ' A' ' 111' ' ' ASP . 0.3 OUTLIER -141.62 68.02 24.69 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.045 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.543 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.2 Cg_endo -75.01 169.25 23.03 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.504 1.791 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.543 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -75.04 -13.14 23.89 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 120.981 -2.508 . . . . 0.0 111.028 0.034 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.715 ' O ' HG23 ' A' ' 95' ' ' VAL . 44.8 p -57.37 -80.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.398 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.503 ' N ' ' OG1' ' A' ' 110' ' ' THR . 37.2 m-20 -75.78 148.15 38.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.476 ' CD2' ' HB3' ' A' ' 108' ' ' PRO . 36.9 mt -145.32 148.77 33.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 49.5 t -123.32 119.63 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.325 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.565 ' NE1' ' HB3' ' A' ' 116' ' ' ALA . 7.2 t90 -81.69 98.23 8.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 107.955 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -78.73 -45.9 20.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.565 ' HB3' ' NE1' ' A' ' 114' ' ' TRP . . . -40.06 -52.81 2.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.498 ' HB2' ' CD2' ' A' ' 114' ' ' TRP . 0.8 OUTLIER -91.84 175.86 6.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.117 . . . . 0.0 110.284 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 101' ' ' GLY . 3.8 p30 -114.36 -26.54 7.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 11.6 t -164.4 134.5 4.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.152 . . . . 0.0 110.438 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 50.6 m95 -50.81 -36.65 38.28 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 119.74 137.67 5.53 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.536 1.147 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.578 ' C ' HD21 ' A' ' 126' ' ' LEU . 27.7 p -113.49 -157.71 0.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 109.46 152.92 14.68 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 55.2 p -55.42 -42.56 74.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 110.026 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 6.5 m -96.23 119.14 34.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.978 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.578 HD21 ' C ' ' A' ' 122' ' ' CYS . 0.5 OUTLIER -135.72 145.63 46.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -150.36 112.37 4.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.333 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.42 ' OG1' ' NH1' ' A' ' 71' ' ' ARG . 36.7 m -111.17 151.35 28.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.422 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.711 ' HB3' ' HB2' ' A' ' 70' ' ' ARG . . . -146.42 162.46 38.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.519 HD12 ' O ' ' A' ' 68' ' ' GLN . 12.5 tp -127.78 130.17 48.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.599 HG23 ' O ' ' A' ' 136' ' ' GLU . 20.0 mm -105.74 154.05 7.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.709 ' CG ' HG13 ' A' ' 138' ' ' VAL . 0.0 OUTLIER -110.51 -170.73 1.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 132' ' ' ASN . 24.1 p -36.49 -54.58 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.984 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 57.2 p -85.03 161.94 19.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 110.37 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -69.16 57.66 0.59 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.436 1.085 . . . . 0.0 111.027 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' GLU . . . . . 0.599 ' O ' HG23 ' A' ' 131' ' ' ILE . 21.1 tt0 -137.82 156.75 47.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.767 . . . . 0.0 110.356 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.448 ' N ' ' CG ' ' A' ' 136' ' ' GLU . 13.0 tt0 -95.36 136.19 36.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 110.272 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.709 HG13 ' CG ' ' A' ' 132' ' ' ASN . 1.9 m -111.41 -17.98 7.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -154.27 157.38 38.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 14.0 ptm -149.38 154.2 38.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.083 . . . . 0.0 111.005 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.492 ' HG3' ' HB2' ' A' ' 34' ' ' ALA . 13.7 ttm-85 -147.32 86.02 1.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.335 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 33.0 tttt -81.84 155.57 25.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.438 1.087 . . . . 0.0 109.287 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.564 HD22 ' HB3' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -158.13 111.84 2.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 31' ' ' SER . 3.9 t -122.36 124.37 70.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' ARG . . . . . 0.577 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 69.1 ttt180 -81.78 140.76 34.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 13.1 t -49.17 109.21 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.98 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -58.16 -169.43 0.19 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.472 1.107 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -51.59 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.518 1.799 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.1 m -144.79 160.31 41.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.978 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.42 145.72 50.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.996 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.49 1.119 . . . . 0.0 111.056 -179.971 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -138.78 98.97 3.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 0.734 . . . . 0.0 109.995 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.0 p -114.09 99.04 7.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.992 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.0 -98.97 0.15 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.499 1.125 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 m -92.66 87.8 6.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.768 . . . . 0.0 109.951 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 m -128.64 143.84 51.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 109.995 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.9 88.47 0.39 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -162.46 169.62 20.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 0.737 . . . . 0.0 110.252 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.9 p -97.87 93.56 6.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.003 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -155.31 132.3 10.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 110.291 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.9 -69.52 0.82 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.459 1.1 . . . . 0.0 110.975 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 129.36 146.57 6.12 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -160.05 157.18 28.47 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 97.1 p -101.86 107.41 18.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 0.767 . . . . 0.0 109.977 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.2 p -71.76 163.57 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.4 m -108.53 136.54 47.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.38 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -79.19 147.96 32.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.62 123.79 48.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.243 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.6 mmt180 -69.66 145.7 52.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -117.39 95.44 4.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.6 tp -146.29 -63.99 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.333 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -134.45 -61.81 0.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.3 m 59.28 113.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.4 p -40.06 138.47 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.018 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.52 -60.0 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.35 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.5 m 60.89 168.84 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.087 . . . . 0.0 109.99 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -163.83 52.05 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m 64.83 162.64 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.032 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.442 ' O ' ' O ' ' A' ' 30' ' ' PHE . 13.6 p 50.84 87.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.022 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.584 ' CD2' ' CD ' ' A' ' 47' ' ' GLU . 9.5 m-30 57.72 147.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.508 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 45.1 m -69.73 70.04 0.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.012 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.546 ' HG2' HD21 ' A' ' 143' ' ' LEU . 69.6 mt-30 -43.37 142.41 1.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.508 ' CD2' ' O ' ' A' ' 31' ' ' SER . 61.9 m-70 -153.85 73.77 0.96 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.61 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.473 ' CB ' ' HA ' ' A' ' 141' ' ' ARG . . . -108.84 145.08 35.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.361 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.2 mmt85 -137.69 109.07 6.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.316 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.22 148.33 28.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.429 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 138' ' ' VAL . 1.3 m -155.81 81.96 1.02 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.435 1.085 . . . . 0.0 110.014 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.37 -134.16 3.63 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.583 1.177 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -106.49 -41.15 5.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 0.779 . . . . 0.0 110.336 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.537 HG23 ' HG2' ' A' ' 62' ' ' GLN . 97.7 t -94.19 152.0 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.84 145.8 42.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.353 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.57 ' CG1' HG23 ' A' ' 45' ' ' VAL . 47.2 t -72.66 86.1 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 42' ' ' VAL . 0.1 OUTLIER -37.24 -65.53 0.3 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -162.16 134.57 5.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.329 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.84 HG22 HG13 ' A' ' 52' ' ' VAL . 7.5 t -120.8 106.42 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -42.49 106.93 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.584 ' CD ' ' CD2' ' A' ' 30' ' ' PHE . 7.9 pt-20 -52.57 -40.66 62.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 110.267 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -54.34 -30.74 52.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 110.302 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.55 80.78 1.42 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.3 mtmt -139.59 -54.57 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 0.762 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.559 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 29.9 p90 -141.98 154.86 45.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.84 HG13 HG22 ' A' ' 45' ' ' VAL . 42.4 t -117.66 114.98 47.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.92 121.66 39.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.703 HD11 HD13 ' A' ' 69' ' ' ILE . 7.3 mt -119.34 131.38 55.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.429 ' NE ' ' HE2' ' A' ' 57' ' ' LYS . 0.3 OUTLIER -125.13 146.25 49.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -96.13 136.22 36.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.429 ' HE2' ' NE ' ' A' ' 55' ' ' ARG . 3.4 mmtt -105.12 -22.49 13.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.606 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 57.6 p -64.19 160.45 18.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.465 ' C ' ' CB ' ' A' ' 91' ' ' ALA . 10.7 t-20 -88.05 -22.96 23.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -102.06 137.49 40.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -52.26 129.63 28.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.537 ' HG2' HG23 ' A' ' 40' ' ' VAL . 40.1 tp60 -99.26 114.92 28.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.9 t -76.63 120.92 22.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.995 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.564 ' HA ' ' CG ' ' A' ' 67' ' ' TRP . 20.1 mtp -100.86 44.22 1.02 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.472 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -77.63 114.2 3.94 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.5 OUTLIER 80.09 8.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 0.787 . . . . 0.0 109.278 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.564 ' CG ' ' HA ' ' A' ' 64' ' ' MET . 10.7 m0 -70.18 167.77 17.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 107.97 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.513 ' O ' HD12 ' A' ' 130' ' ' LEU . 2.7 mt-30 -148.61 169.1 21.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.283 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.96 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 2.0 mt -137.56 110.24 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 129' ' ' ALA . 0.7 OUTLIER -78.48 147.21 34.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 110.298 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.632 ' O ' HD12 ' A' ' 78' ' ' LEU . 5.0 tpp180 -149.79 118.82 6.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.326 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.423 ' HB2' HD13 ' A' ' 78' ' ' LEU . 8.0 tm0? -126.53 141.35 51.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.369 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -141.49 129.78 22.33 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 37.68 -134.43 1.05 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -102.89 49.25 0.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 0.774 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.466 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 0.2 OUTLIER -106.85 176.56 1.6 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.466 ' CD ' ' CB ' ' A' ' 76' ' ' ASP . 18.4 Cg_endo -74.98 113.81 3.88 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.503 1.791 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.632 HD12 ' O ' ' A' ' 71' ' ' ARG . 7.3 tp -60.76 124.28 19.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -107.04 152.01 24.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 93.7 m -135.0 102.09 5.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.404 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -72.76 105.9 4.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 111.026 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -82.33 141.4 32.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.26 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.96 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 14.0 m-85 -92.81 168.85 11.57 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.514 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.2 Cg_endo -75.0 152.55 40.88 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.537 1.809 . . . . 0.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 30.19 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.431 1.753 . . . . 0.0 111.022 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.514 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.0 OUTLIER -166.05 59.91 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.41 ' HZ ' HG21 ' A' ' 95' ' ' VAL . 25.4 t80 -127.34 126.04 41.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.61 139.87 52.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.386 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.453 HD23 ' CG2' ' A' ' 40' ' ' VAL . 43.7 tp -118.27 91.14 3.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 89' ' ' LEU . 33.2 mtmt -42.91 165.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.606 ' HB1' ' O ' ' A' ' 58' ' ' SER . . . -81.72 133.93 35.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.22 6.08 85.92 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.431 1.082 . . . . 0.0 111.059 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -90.91 173.12 8.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 0.769 . . . . 0.0 110.356 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.0 p -141.22 158.78 22.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 110' ' ' THR . 9.6 p -143.06 149.01 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 112' ' ' LEU . 1.6 m -122.79 128.61 50.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.381 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.641 HD12 ' O ' ' A' ' 52' ' ' VAL . 4.0 mp -115.46 82.18 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.569 ' CG ' ' CB ' ' A' ' 104' ' ' ALA . 46.0 m95 -68.4 163.8 22.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 108.013 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 100' ' ' SER . . . -111.21 143.02 42.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 99' ' ' ALA . 3.6 t -37.57 -51.04 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.987 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 118' ' ' ASN . . . -83.4 59.61 4.96 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -137.66 -47.66 0.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 0.74 . . . . 0.0 109.298 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 103.71 20.4 10.85 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.529 1.143 . . . . 0.0 111.042 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.569 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -80.32 -171.04 2.81 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 0.763 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -134.46 122.25 22.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.442 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.463 ' NE2' ' HG3' ' A' ' 108' ' ' PRO . 22.3 t60 -56.75 93.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.593 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 111' ' ' ASP . 0.5 OUTLIER -125.26 72.68 66.03 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.03 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.564 ' HB3' HD21 ' A' ' 112' ' ' LEU . 18.2 Cg_endo -74.97 169.33 22.86 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.53 1.805 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.552 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.5 Cg_endo -74.91 -23.2 12.89 Favored 'Cis proline' 0 C--N 1.361 1.21 0 C-N-CA 121.009 -2.496 . . . . 0.0 111.01 -0.09 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.72 ' O ' HG23 ' A' ' 95' ' ' VAL . 42.7 p -53.87 -90.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.427 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 107' ' ' SER . 5.6 m-20 -63.72 142.1 58.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.564 HD21 ' HB3' ' A' ' 108' ' ' PRO . 17.0 mt -144.1 164.63 30.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 57.3 t -133.16 126.47 53.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.444 ' NE1' ' HB3' ' A' ' 116' ' ' ALA . 6.7 t90 -89.39 95.39 10.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 108.038 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 116' ' ' ALA . 20.1 mtpt -77.6 -47.22 19.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.444 ' HB3' ' NE1' ' A' ' 114' ' ' TRP . . . -39.83 -43.93 1.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.356 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.402 ' HB2' ' CE2' ' A' ' 114' ' ' TRP . 1.1 mm100 -104.08 176.03 5.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.42 ' O ' ' N ' ' A' ' 101' ' ' GLY . 3.8 p30 -114.2 -20.67 10.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 12.1 t -169.44 136.02 1.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.378 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.651 ' CE2' ' CG2' ' A' ' 52' ' ' VAL . 59.7 m95 -48.55 -40.11 25.9 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 126.76 142.76 5.7 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 2.3 p -114.59 -172.69 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 129.88 139.39 4.57 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 9.6 p -42.77 -34.47 0.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 0.0 109.995 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -121.47 134.92 55.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 110.026 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.446 ' CD1' ' O ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -135.06 150.47 50.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 1.6 ttp85 -139.77 105.92 5.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 24.1 m -107.38 159.52 16.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 110.423 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 70' ' ' ARG . . . -159.51 160.42 34.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.235 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.61 HD23 HG23 ' A' ' 138' ' ' VAL . 12.7 tp -123.97 133.03 53.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.522 HD13 ' HA ' ' A' ' 137' ' ' GLU . 13.6 mm -116.42 147.79 19.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.8 ' OD1' HG22 ' A' ' 134' ' ' THR . 7.8 p30 -100.53 -171.41 2.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 132' ' ' ASN . 24.0 p -36.05 -58.63 0.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.8 HG22 ' OD1' ' A' ' 132' ' ' ASN . 2.8 t -81.48 160.25 24.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.385 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -67.93 60.94 0.36 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 134' ' ' THR . 18.1 tt0 -137.56 139.51 40.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 0.0 110.3 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.522 ' HA ' HD13 ' A' ' 131' ' ' ILE . 24.6 tt0 -84.84 147.39 26.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.25 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.61 HG23 HD23 ' A' ' 130' ' ' LEU . 2.7 m -115.12 -36.25 2.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -144.07 157.51 44.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 14.1 ptm -138.38 146.5 42.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.473 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 25.9 ttm-85 -137.71 103.76 5.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.148 . . . . 0.0 110.234 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.526 ' O ' HD22 ' A' ' 143' ' ' LEU . 15.1 tttt -106.03 131.95 52.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.115 . . . . 0.0 109.322 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.546 HD21 ' HG2' ' A' ' 32' ' ' GLN . 1.1 mm? -121.56 119.55 32.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.346 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 31' ' ' SER . 3.3 t -115.95 137.82 48.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' ARG . . . . . 0.465 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 76.2 ttt180 -100.12 141.36 33.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 145' ' ' ARG . 5.1 m -43.89 -93.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.034 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 169.11 164.4 24.75 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.466 1.104 . . . . 0.0 111.034 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 134.77 18.14 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.531 1.806 . . . . 0.0 110.989 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 89.5 p -135.19 106.94 6.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.991 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 11.1 m -157.86 126.58 5.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.961 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.434 1.084 . . . . 0.0 110.994 180.0 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.9 p -171.07 140.54 1.54 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 0.777 . . . . 0.0 109.982 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.0 p -172.39 159.16 4.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.954 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.34 103.44 0.26 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.501 1.126 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.4 t -168.64 152.5 5.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 0.784 . . . . 0.0 109.97 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.2 p -136.37 165.48 25.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.054 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.71 146.34 4.86 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.427 1.079 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -173.37 155.99 2.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 0.76 . . . . 0.0 110.345 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.6 p -176.85 128.27 0.17 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.011 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -158.02 129.47 6.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -174.37 149.54 10.72 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -174.94 156.17 22.1 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 159.98 91.88 0.08 OUTLIER Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.84 134.9 5.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 0.0 110.02 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 62.9 t -73.74 143.57 13.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 75.8 p -121.52 67.91 0.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.387 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.66 -56.05 2.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 68.1 -78.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.344 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.03 95.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.27 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.99 141.76 51.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.6 mt -103.5 70.34 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 41.73 82.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.4 p -135.9 84.41 2.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.028 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.8 t -117.16 148.45 41.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.002 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -178.36 145.04 0.32 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 110.318 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.8 t 40.15 86.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.965 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -119.44 106.91 12.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.7 t -164.83 111.92 1.01 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.996 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.424 ' O ' ' O ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER 66.33 140.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.015 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.588 ' CD2' ' OE1' ' A' ' 47' ' ' GLU . 4.4 m-30 57.5 150.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 111.02 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.629 ' HB2' HG12 ' A' ' 144' ' ' VAL . 17.1 m -84.25 62.86 7.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.018 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -50.18 142.79 9.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.402 ' CD2' ' O ' ' A' ' 31' ' ' SER . 73.1 m-70 -155.63 81.78 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.625 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.561 ' HB2' ' HG3' ' A' ' 141' ' ' ARG . . . -100.36 161.71 13.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.87 106.33 1.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.0 149.25 26.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.395 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.2 OUTLIER -156.17 82.14 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.044 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 157.88 -137.47 5.32 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.548 1.155 . . . . 0.0 111.021 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.455 ' CG ' ' HB3' ' A' ' 58' ' ' SER . 5.1 mtm-85 -103.6 -38.27 7.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 0.753 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.559 HG23 ' HG2' ' A' ' 62' ' ' GLN . 65.6 t -92.52 160.97 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.419 ' N ' HG12 ' A' ' 40' ' ' VAL . . . -148.59 145.57 27.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.655 ' CG1' HG23 ' A' ' 45' ' ' VAL . 24.7 t -75.15 85.52 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.07 -62.03 0.69 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.343 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -163.63 132.33 3.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 110.319 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.872 HG22 HG13 ' A' ' 52' ' ' VAL . 6.8 t -119.71 102.78 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -44.12 109.18 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.588 ' OE1' ' CD2' ' A' ' 30' ' ' PHE . 7.0 pt-20 -56.14 -32.73 64.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -56.86 -35.05 68.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.92 64.22 0.99 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -124.01 -52.32 1.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 0.752 . . . . 0.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.568 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 33.1 p90 -146.17 156.11 43.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.872 HG13 HG22 ' A' ' 45' ' ' VAL . 25.2 t -119.1 114.99 46.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.89 125.76 40.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.337 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.62 HD11 HD13 ' A' ' 69' ' ' ILE . 5.7 mt -124.81 126.91 46.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.483 ' CG ' HG22 ' A' ' 94' ' ' VAL . 28.0 ttp180 -119.05 147.06 44.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.266 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -93.25 136.74 33.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -103.26 -24.84 13.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.455 ' HB3' ' CG ' ' A' ' 39' ' ' ARG . 56.0 p -61.92 168.7 2.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.022 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.494 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 1.9 p30 -100.62 -26.5 13.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -93.62 131.99 38.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -44.37 117.99 1.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.559 ' HG2' HG23 ' A' ' 40' ' ' VAL . 63.2 tp60 -84.39 158.53 21.07 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.445 1.091 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.528 ' H ' ' NE2' ' A' ' 62' ' ' GLN . 35.6 t -124.64 121.95 36.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.024 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.588 ' HA ' ' CG ' ' A' ' 67' ' ' TRP . 13.6 mtp -106.05 46.24 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 111.011 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -78.98 113.07 3.59 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER 81.46 5.88 1.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 0.757 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.588 ' CG ' ' HA ' ' A' ' 64' ' ' MET . 11.7 m0 -66.64 167.15 11.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 108.025 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -147.46 168.51 21.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.317 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.993 HD11 ' CE2' ' A' ' 83' ' ' PHE . 2.1 mt -135.77 111.69 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.452 ' HB2' ' HB3' ' A' ' 129' ' ' ALA . 26.5 mtt-85 -83.12 140.91 32.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.345 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.446 ' HB3' ' CG ' ' A' ' 79' ' ' MET . 0.7 OUTLIER -143.48 116.2 8.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.3 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.421 ' CG ' ' HG ' ' A' ' 78' ' ' LEU . 10.2 tm0? -129.72 134.22 47.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.414 ' ND2' ' HA3' ' A' ' 121' ' ' GLY . 4.5 p30 -142.55 135.07 27.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 73' ' ' ASN . . . 37.12 -147.49 0.07 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -94.38 69.73 3.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.757 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.473 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 0.3 OUTLIER -125.15 176.5 2.37 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.473 ' CD ' ' CB ' ' A' ' 76' ' ' ASP . 18.3 Cg_endo -74.97 114.49 4.04 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.523 1.802 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.623 HD23 ' N ' ' A' ' 79' ' ' MET . 1.4 tt -57.42 126.91 29.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.623 ' N ' HD23 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -114.1 155.7 25.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.985 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 69' ' ' ILE . 52.6 m -144.55 101.28 3.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.397 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -74.39 106.74 6.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 111.034 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -80.92 147.74 30.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 110.278 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.993 ' CE2' HD11 ' A' ' 69' ' ' ILE . 11.0 m-85 -102.3 170.02 6.88 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 111.047 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 18.2 Cg_endo -75.02 153.33 41.58 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.485 1.782 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 84' ' ' PRO . 18.4 Cg_endo -74.99 6.1 3.59 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.4 mmmt -140.16 66.37 1.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.468 ' HZ ' HG21 ' A' ' 95' ' ' VAL . 25.0 t80 -130.28 122.59 28.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -118.87 120.31 36.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.402 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 62' ' ' GLN . 58.9 tp -99.75 90.54 4.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -40.49 159.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 59' ' ' ASN . . . -75.97 133.38 40.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.346 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 76.66 3.83 79.87 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -85.3 -179.04 6.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.483 HG22 ' CG ' ' A' ' 55' ' ' ARG . 17.2 t -151.71 144.51 16.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 110' ' ' THR . 1.9 p -130.16 140.35 49.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 109.331 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 112' ' ' LEU . 1.3 m -111.96 132.99 54.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 110.388 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.514 ' N ' HD12 ' A' ' 97' ' ' ILE . 4.6 mp -117.27 81.61 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.601 ' CB ' ' CB ' ' A' ' 104' ' ' ALA . 31.1 m95 -71.44 163.18 28.19 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 100' ' ' SER . . . -104.36 146.07 29.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.36 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 99' ' ' ALA . 2.5 t -37.98 -37.09 0.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.0 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -110.42 71.65 0.21 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -151.65 23.06 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 0.792 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 42.54 41.1 4.04 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.511 1.132 . . . . 0.0 111.019 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.601 ' CB ' ' CB ' ' A' ' 98' ' ' TRP . . . -99.33 -171.23 2.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 0.746 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -146.66 120.58 9.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.368 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.486 ' NE2' ' HG3' ' A' ' 108' ' ' PRO . 21.7 t60 -56.81 94.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.617 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 111' ' ' ASP . 0.5 OUTLIER -128.61 68.98 79.11 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.979 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.574 ' HB3' HD21 ' A' ' 112' ' ' LEU . 18.3 Cg_endo -75.04 169.62 22.21 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.471 1.774 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.564 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -75.0 -13.29 23.71 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.999 -2.5 . . . . 0.0 111.058 -0.002 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.617 ' O ' HG23 ' A' ' 95' ' ' VAL . 37.7 p -58.27 -92.35 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 110.453 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' A' ' 112' ' ' LEU . 3.0 t0 -69.99 143.61 52.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.348 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.574 HD21 ' HB3' ' A' ' 108' ' ' PRO . 18.7 mt -139.04 164.84 28.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 72.1 t -132.09 126.54 56.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.765 ' NE1' ' HB3' ' A' ' 116' ' ' ALA . 6.7 t90 -87.77 100.11 12.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.16 . . . . 0.0 108.011 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -79.38 -37.64 36.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.36 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.765 ' HB3' ' NE1' ' A' ' 114' ' ' TRP . . . -52.06 -41.9 62.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.511 ' HB2' ' CE2' ' A' ' 114' ' ' TRP . 0.8 OUTLIER -112.89 170.81 7.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.323 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -113.4 -21.41 10.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.264 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 11.3 t -157.19 144.79 18.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.372 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.656 ' CE2' ' CG2' ' A' ' 52' ' ' VAL . 52.1 m95 -64.36 -46.71 82.23 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.414 ' HA3' ' ND2' ' A' ' 73' ' ' ASN . . . 135.5 135.1 3.42 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.488 1.118 . . . . 0.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.608 ' C ' HD21 ' A' ' 126' ' ' LEU . 22.0 p -110.34 -156.18 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 110.17 159.68 17.53 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.48 1.112 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 145' ' ' ARG . 91.0 p -58.99 -55.09 39.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.773 . . . . 0.0 109.946 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.904 ' HA ' HG23 ' A' ' 144' ' ' VAL . 16.5 p -94.1 127.46 39.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.977 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.608 HD21 ' C ' ' A' ' 122' ' ' CYS . 0.6 OUTLIER -136.38 158.27 44.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -160.29 123.34 3.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 15.9 m -121.04 162.32 20.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.354 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.452 ' HB3' ' HB2' ' A' ' 70' ' ' ARG . . . -158.58 156.31 29.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.507 HD23 HG23 ' A' ' 138' ' ' VAL . 13.2 tp -119.48 131.35 55.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.664 HD13 ' HA ' ' A' ' 137' ' ' GLU . 18.1 mm -115.3 147.04 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.153 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.76 ' OD1' HG22 ' A' ' 134' ' ' THR . 6.4 p30 -98.38 -170.97 2.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 132' ' ' ASN . 23.5 p -36.1 -58.74 0.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.029 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.76 HG22 ' OD1' ' A' ' 132' ' ' ASN . 1.9 t -81.67 161.07 23.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.39 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -68.43 63.61 0.42 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.127 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' GLU . . . . . 0.454 ' O ' HG23 ' A' ' 131' ' ' ILE . 15.8 tt0 -139.49 137.19 35.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.756 . . . . 0.0 110.288 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.664 ' HA ' HD13 ' A' ' 131' ' ' ILE . 8.1 tt0 -84.38 141.07 31.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.327 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.507 HG23 HD23 ' A' ' 130' ' ' LEU . 2.4 m -107.84 -38.9 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -142.27 161.45 37.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -141.47 154.25 45.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.561 ' HG3' ' HB2' ' A' ' 34' ' ' ALA . 3.9 ttt85 -145.04 97.45 3.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -92.89 151.68 19.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 126' ' ' LEU . 0.3 OUTLIER -160.26 116.63 2.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.904 HG23 ' HA ' ' A' ' 125' ' ' SER . 9.9 p -128.48 151.45 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' ARG . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 32.9 ttt180 -100.14 152.8 19.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.276 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 28.0 t -122.88 110.07 14.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.975 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -147.54 163.7 28.76 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.464 1.102 . . . . 0.0 111.022 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 163.26 35.72 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.427 1.751 . . . . 0.0 111.041 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.07 128.05 56.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 110.052 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 10.8 p -102.42 -59.65 1.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 110.043 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.523 1.139 . . . . 0.0 111.001 179.965 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 t -113.85 161.92 16.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 0.764 . . . . 0.0 109.992 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.7 t -66.32 -60.65 2.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.98 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.46 146.79 8.95 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.144 . . . . 0.0 111.013 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.56 109.49 2.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 0.792 . . . . 0.0 110.039 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.82 151.5 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.023 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.85 74.77 1.21 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -114.41 107.22 15.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 0.732 . . . . 0.0 110.339 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.8 t -115.59 115.66 26.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.057 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -144.5 111.66 5.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.277 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -153.24 169.69 32.1 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 171.71 132.59 1.51 Allowed Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 139.23 70.51 0.04 OUTLIER Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.6 t -172.92 117.06 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 0.738 . . . . 0.0 110.025 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.8 p -110.33 138.81 36.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.0 m -105.12 108.9 20.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.384 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.64 116.54 8.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.03 -63.03 0.45 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 39.18 89.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.77 151.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 mt -121.01 -65.2 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -134.2 144.46 48.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.59 -61.08 1.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.952 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.1 t 43.09 86.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.987 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -150.5 82.31 1.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.0 140.43 39.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.017 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -114.47 168.03 10.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.64 -62.29 1.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.041 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.408 ' O ' ' O ' ' A' ' 30' ' ' PHE . 65.8 m -50.91 102.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.987 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 145' ' ' ARG . 7.4 m-30 58.91 149.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.963 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 144' ' ' VAL . 5.4 t -67.83 67.63 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.031 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.88 ' NE2' HD21 ' A' ' 143' ' ' LEU . 5.2 mt-30 -49.49 147.58 3.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.482 ' CG ' ' O ' ' A' ' 32' ' ' GLN . 60.9 m-70 -159.58 78.89 0.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.564 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.472 ' CB ' ' HA ' ' A' ' 141' ' ' ARG . . . -101.91 159.58 15.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -158.86 109.22 2.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.407 HG21 ' HB2' ' A' ' 41' ' ' ALA . 0.9 OUTLIER -88.59 147.68 24.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.387 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.2 OUTLIER -156.12 82.14 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.989 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 160.75 -145.14 10.66 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.419 ' CD ' ' CD ' ' A' ' 60' ' ' GLU . 10.9 mtm-85 -97.42 -40.79 8.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 0.763 . . . . 0.0 110.23 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.533 HG23 ' HG3' ' A' ' 62' ' ' GLN . 23.2 t -95.62 144.35 10.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 109.27 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.826 ' HB3' ' HD3' ' A' ' 57' ' ' LYS . . . -129.67 154.7 46.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.516 ' CG1' HG23 ' A' ' 45' ' ' VAL . 60.8 t -80.64 86.7 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 109.278 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.87 -67.89 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -158.6 132.52 7.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.261 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.831 HG22 HG13 ' A' ' 52' ' ' VAL . 8.2 t -120.27 107.36 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.93 107.48 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.666 ' HB3' HD22 ' A' ' 143' ' ' LEU . 7.1 pt-20 -56.49 -36.31 68.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -57.67 -17.95 17.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.94 64.66 1.91 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.488 1.117 . . . . 0.0 111.026 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -121.98 -47.49 2.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 0.762 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.619 ' CD2' ' CZ3' ' A' ' 98' ' ' TRP . 28.3 p90 -154.07 156.73 37.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.831 HG13 HG22 ' A' ' 45' ' ' VAL . 23.4 t -117.84 118.58 58.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.257 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.463 ' HG3' HG23 ' A' ' 96' ' ' THR . 0.2 OUTLIER -104.16 126.06 50.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.273 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.565 HD21 ' CG1' ' A' ' 52' ' ' VAL . 6.0 mt -125.5 139.55 53.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.6 ttp85 -126.48 153.93 44.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 110.273 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -99.64 99.81 10.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.348 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.826 ' HD3' ' HB3' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -68.34 -35.74 78.21 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.516 1.135 . . . . 0.0 109.36 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.405 ' CB ' ' HB3' ' A' ' 39' ' ' ARG . 15.7 t -57.55 172.27 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 110.007 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.477 ' C ' ' CB ' ' A' ' 91' ' ' ALA . 1.8 p30 -108.2 -0.8 20.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.52 ' C ' ' HB2' ' A' ' 91' ' ' ALA . 1.5 pt-20 -108.72 154.06 22.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.274 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 -64.93 136.68 57.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.61 ' OE1' ' CZ2' ' A' ' 67' ' ' TRP . 0.0 OUTLIER -112.34 102.87 10.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.524 ' N ' ' NE2' ' A' ' 62' ' ' GLN . 55.5 m -72.79 120.4 18.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.996 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -113.64 47.24 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.503 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -88.28 56.71 4.25 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.456 1.098 . . . . 0.0 111.035 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 1.0 OUTLIER 155.67 -24.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 0.769 . . . . 0.0 109.292 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.61 ' CZ2' ' OE1' ' A' ' 62' ' ' GLN . 11.4 m0 -42.25 161.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 107.997 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.439 ' CG ' ' C ' ' A' ' 67' ' ' TRP . 5.0 mt-30 -153.98 133.99 13.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.325 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.878 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 13.0 mt -91.83 124.26 44.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.5 mtt-85 -97.44 117.88 32.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.508 ' O ' HD12 ' A' ' 78' ' ' LEU . 9.2 tpt180 -115.03 111.53 21.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.267 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.464 ' CG ' HD13 ' A' ' 78' ' ' LEU . 5.5 tm0? -117.68 126.96 53.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.423 ' OD1' ' NE ' ' A' ' 71' ' ' ARG . 0.4 OUTLIER -127.25 148.02 50.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -62.49 154.09 42.53 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.2 t70 42.66 57.48 3.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 0.764 . . . . 0.0 109.242 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -177.57 165.33 1.32 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 175.51 11.14 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.452 1.764 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.508 HD12 ' O ' ' A' ' 71' ' ' ARG . 22.8 tp -106.04 135.18 47.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 51.2 mtm -113.81 152.17 31.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 69' ' ' ILE . 18.3 m -140.23 88.52 2.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.393 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.838 ' CD2' HD12 ' A' ' 69' ' ' ILE . 41.0 t80 -71.79 95.74 1.55 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -75.02 127.69 33.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.878 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 10.6 m-85 -74.29 169.05 21.07 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.414 ' O ' ' HA2' ' A' ' 65' ' ' GLY . 18.3 Cg_endo -75.03 147.89 34.43 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.496 1.788 . . . . 0.0 111.0 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.474 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.4 Cg_endo -75.0 5.15 4.15 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.457 1.767 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.407 ' N ' ' HD3' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -128.8 50.38 2.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.412 ' CZ ' HG21 ' A' ' 95' ' ' VAL . 5.7 t80 -128.23 141.76 51.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 110.948 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 m -144.1 105.72 4.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.385 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 34.8 tp -84.08 91.94 7.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -46.5 166.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.52 ' HB2' ' C ' ' A' ' 60' ' ' GLU . . . -76.15 138.18 40.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 75.35 -0.46 59.8 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -87.27 169.31 12.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.754 . . . . 0.0 110.289 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 54' ' ' LEU . 10.9 p -139.51 154.25 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.092 . . . . 0.0 109.322 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 110' ' ' THR . 5.9 p -141.16 136.62 33.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.463 HG23 ' HG3' ' A' ' 53' ' ' ARG . 9.3 m -113.93 132.86 55.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.405 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 4.8 mp -118.8 83.95 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.619 ' CZ3' ' CD2' ' A' ' 51' ' ' PHE . 23.7 m95 -69.33 167.42 16.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 108.056 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 101' ' ' GLY . . . -111.96 136.6 51.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.155 . . . . 0.0 109.301 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 99' ' ' ALA . 47.1 t -38.67 -30.23 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 0.0 110.031 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 99' ' ' ALA . . . -66.94 -51.63 38.54 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.467 1.104 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 99' ' ' ALA . . . -47.06 -48.99 22.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.749 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 89.27 24.47 31.4 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.434 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -59.55 -163.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 0.784 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.69 115.81 22.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.417 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -58.64 111.24 1.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.631 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.481 ' CB ' ' HB2' ' A' ' 111' ' ' ASP . 0.6 OUTLIER -143.02 68.23 17.81 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.002 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.539 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.2 Cg_endo -75.05 169.74 21.93 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.545 1.813 . . . . 0.0 110.965 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.539 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -74.99 -10.94 24.24 Favored 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 121.045 -2.481 . . . . 0.0 111.005 -0.012 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.497 ' O ' HG23 ' A' ' 95' ' ' VAL . 35.0 p -59.57 -79.26 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.432 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.481 ' HB2' ' CB ' ' A' ' 107' ' ' SER . 4.4 m-20 -76.91 143.96 39.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.496 ' CD2' ' HB3' ' A' ' 108' ' ' PRO . 8.8 mt -143.15 144.93 32.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 42.6 t -118.1 127.18 75.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.53 ' CD2' ' HB2' ' A' ' 117' ' ' GLN . 5.4 t90 -84.78 102.14 12.79 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.86 -44.22 17.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -49.58 -35.49 20.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.53 ' HB2' ' CD2' ' A' ' 114' ' ' TRP . 0.4 OUTLIER -115.4 174.31 6.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 110.297 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -136.82 15.22 3.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 1.7 t -176.5 148.46 0.73 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.378 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.44 ' O ' ' CZ ' ' A' ' 71' ' ' ARG . 43.1 m95 -92.5 15.45 14.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 108.038 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 73.38 112.19 0.07 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.507 1.129 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 11.4 p -97.4 -169.91 1.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 122.09 154.18 9.08 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.52 1.138 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 67.6 p -54.56 -42.52 71.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 0.752 . . . . 0.0 109.993 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 44.7 m -96.39 122.15 38.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.033 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.434 HD22 HH21 ' A' ' 71' ' ' ARG . 0.6 OUTLIER -137.52 150.23 47.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -153.72 104.91 2.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 110.334 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.429 HG21 HG21 ' A' ' 45' ' ' VAL . 22.0 m -101.72 152.51 20.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.364 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -152.72 156.57 39.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.553 HD21 ' HZ3' ' A' ' 67' ' ' TRP . 13.9 tp -120.2 132.4 55.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.641 HD13 ' HA ' ' A' ' 137' ' ' GLU . 24.6 mm -116.22 147.08 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.56 ' HA ' ' CG ' ' A' ' 67' ' ' TRP . 10.6 p30 -99.99 -166.65 1.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.517 ' OG ' ' N ' ' A' ' 134' ' ' THR . 1.3 p -35.34 -66.04 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.99 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.517 ' N ' ' OG ' ' A' ' 133' ' ' SER . 14.6 t -79.1 162.71 25.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.376 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -67.76 62.1 0.32 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 134' ' ' THR . 12.5 tt0 -135.5 136.28 41.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 0.75 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.641 ' HA ' HD13 ' A' ' 131' ' ' ILE . 4.8 tt0 -83.28 138.62 33.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.261 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.493 HG13 HD22 ' A' ' 132' ' ' ASN . 3.4 m -110.9 -30.62 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -144.73 157.44 44.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 15.1 ptm -142.78 151.77 41.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.472 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 17.4 ttm-85 -144.65 82.31 1.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.328 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.836 ' HD3' HG23 ' A' ' 144' ' ' VAL . 0.1 OUTLIER -78.37 154.58 30.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.88 HD21 ' NE2' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -161.6 118.0 2.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.836 HG23 ' HD3' ' A' ' 142' ' ' LYS . 22.1 t -128.86 128.64 67.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' ARG . . . . . 0.566 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 58.8 ttt180 -82.71 141.2 32.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 3.3 m -94.85 107.1 19.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.985 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -131.73 154.02 20.74 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 136.05 19.83 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 8.9 t -84.71 111.94 20.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.985 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 70.7 m -123.35 90.02 3.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.973 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.547 1.155 . . . . 0.0 111.009 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.4 t -178.84 162.98 1.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 0.757 . . . . 0.0 110.022 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -161.14 172.96 15.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.012 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.03 -162.98 9.69 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.504 1.128 . . . . 0.0 111.018 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -175.77 173.86 2.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.993 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.35 173.56 6.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.977 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.0 -179.49 40.09 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.478 1.111 . . . . 0.0 111.038 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -170.5 171.95 6.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 0.748 . . . . 0.0 110.282 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.8 t -156.07 113.62 3.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.026 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -90.2 -173.34 3.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -140.08 -166.74 10.77 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 110.952 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -165.13 -177.83 37.9 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -158.0 -154.88 7.31 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.23 165.41 19.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 0.748 . . . . 0.0 109.964 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.1 p -172.07 131.89 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.0 t -122.95 146.84 47.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.362 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -156.07 168.81 26.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.6 143.72 5.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -128.37 170.47 13.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 110.297 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.495 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -138.77 86.03 2.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.495 HD12 ' O ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER 176.7 115.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 176.29 170.93 0.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.79 111.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.6 p -179.03 98.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.029 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -174.49 173.69 2.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.294 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.3 t -49.55 154.73 0.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.986 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.85 97.48 2.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.285 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 70.36 171.83 0.31 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 110.014 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 30' ' ' PHE . 2.4 m 174.35 91.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.486 ' CE1' ' CG ' ' A' ' 145' ' ' ARG . 8.4 m-30 56.97 156.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.578 ' HB2' ' CG1' ' A' ' 144' ' ' VAL . 56.2 m -89.86 71.12 7.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.043 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.552 ' HG2' HD21 ' A' ' 143' ' ' LEU . 35.3 mt-30 -48.66 152.57 0.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.295 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.534 ' CG ' ' O ' ' A' ' 32' ' ' GLN . 67.4 m-70 -164.03 75.37 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.539 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -106.94 164.0 12.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.95 106.88 0.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.59 147.74 29.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 0.0 110.432 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 138' ' ' VAL . 2.3 m -156.28 81.98 0.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.989 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.68 -142.89 8.6 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.446 1.091 . . . . 0.0 111.034 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.448 ' NH1' ' CD ' ' A' ' 60' ' ' GLU . 8.8 mtm180 -95.32 -43.34 8.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 0.78 . . . . 0.0 110.316 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.574 HG23 ' HG2' ' A' ' 62' ' ' GLN . 87.6 t -91.35 166.6 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.528 ' N ' HG12 ' A' ' 40' ' ' VAL . . . -151.48 141.95 22.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.447 ' CG1' HG23 ' A' ' 45' ' ' VAL . 30.0 t -67.83 86.99 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.99 -67.18 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.417 ' HA ' ' NH2' ' A' ' 141' ' ' ARG . 2.0 tp10 -161.64 134.47 6.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.825 HG22 HG13 ' A' ' 52' ' ' VAL . 6.5 t -119.83 109.61 26.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.525 ' OD2' ' N ' ' A' ' 49' ' ' GLY . 0.1 OUTLIER -42.91 117.55 1.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.53 ' HB3' HD22 ' A' ' 143' ' ' LEU . 5.6 pt-20 -68.56 -19.97 64.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -75.92 -12.71 60.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.525 ' N ' ' OD2' ' A' ' 46' ' ' ASP . . . 73.48 94.0 0.11 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.506 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 10.8 mtmt -158.91 -54.79 0.06 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 0.765 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.587 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 19.3 p90 -138.49 159.18 42.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.825 HG13 HG22 ' A' ' 45' ' ' VAL . 38.1 t -124.72 113.79 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.417 ' HG3' HG23 ' A' ' 96' ' ' THR . 0.0 OUTLIER -95.61 124.95 39.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.342 179.925 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.522 HD11 HD13 ' A' ' 69' ' ' ILE . 6.9 mt -123.35 132.93 54.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.412 ' HG2' ' CE ' ' A' ' 57' ' ' LYS . 17.4 ttp180 -124.04 148.06 47.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.326 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 32.6 t-20 -95.09 130.98 41.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.412 ' CE ' ' HG2' ' A' ' 55' ' ' ARG . 7.1 mmpt? -97.14 -30.27 13.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.659 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 82.6 p -61.19 154.89 22.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.441 ' C ' ' CB ' ' A' ' 91' ' ' ALA . 10.9 t-20 -88.23 -15.29 36.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.565 ' C ' ' HB2' ' A' ' 91' ' ' ALA . 5.6 pt-20 -96.27 149.24 21.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -63.79 124.24 20.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.574 ' HG2' HG23 ' A' ' 40' ' ' VAL . 42.8 tp60 -100.81 118.19 36.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.1 t -80.2 140.7 36.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.986 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.539 ' HA ' ' CD1' ' A' ' 67' ' ' TRP . 56.1 mtp -126.87 29.5 5.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.508 ' CA ' ' HA ' ' A' ' 85' ' ' PRO . . . -74.95 55.16 2.64 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.491 1.119 . . . . 0.0 110.953 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 1.0 OUTLIER 155.67 -24.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 0.783 . . . . 0.0 109.262 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.539 ' CD1' ' HA ' ' A' ' 64' ' ' MET . 11.1 m0 -44.12 163.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 108.021 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.42 ' O ' HD12 ' A' ' 130' ' ' LEU . 11.3 mt-30 -144.22 168.51 19.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 1.126 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 6.8 mt -131.56 122.03 49.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.708 ' HB2' ' HB3' ' A' ' 129' ' ' ALA . 6.4 mtp85 -95.73 143.93 26.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.264 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -148.6 100.39 3.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.99 ' HB2' HD13 ' A' ' 78' ' ' LEU . 21.7 tm0? -117.81 126.61 52.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 121' ' ' GLY . 86.1 m-20 -120.56 146.63 46.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' A' ' 76' ' ' ASP . . . -43.71 142.22 2.45 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 66.21 -72.17 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 0.795 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 74' ' ' GLY . 0.2 OUTLIER -41.53 160.99 0.14 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -176.84 3.08 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.562 1.822 . . . . 0.0 110.978 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.99 HD13 ' HB2' ' A' ' 72' ' ' GLN . 8.8 tp -112.14 131.76 55.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.422 ' N ' HD12 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -118.87 159.37 23.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.493 ' OG1' ' CZ ' ' A' ' 70' ' ' ARG . 28.9 m -145.77 105.87 4.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.39 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.502 ' HB2' ' CH2' ' A' ' 114' ' ' TRP . 61.9 t80 -87.59 111.04 20.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.113 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.6 ttp85 -88.01 120.2 29.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.331 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 1.126 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 16.4 m-85 -63.89 166.5 9.81 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.431 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.2 Cg_endo -75.04 147.72 34.13 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.496 1.787 . . . . 0.0 110.942 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.508 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.2 Cg_endo -75.03 15.19 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.465 1.771 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.431 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.3 OUTLIER -134.07 41.74 2.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -129.18 135.29 48.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.8 m -135.98 113.26 10.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.425 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 30.1 tp -87.26 97.27 10.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -51.15 167.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.659 ' HB1' ' O ' ' A' ' 58' ' ' SER . . . -78.22 136.07 37.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 75.87 2.65 71.59 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -88.8 170.94 10.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 0.736 . . . . 0.0 110.285 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 13.3 p -139.5 158.45 27.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 110' ' ' THR . 7.3 p -146.86 145.79 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.251 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 112' ' ' LEU . 21.8 m -122.37 126.77 48.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.406 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.595 ' N ' HD12 ' A' ' 97' ' ' ILE . 4.2 mp -112.57 89.76 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.651 ' CG ' ' CB ' ' A' ' 104' ' ' ALA . 42.3 m95 -75.01 162.5 28.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.165 . . . . 0.0 107.981 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 50' ' ' LYS . . . -103.12 145.63 29.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.0 t -39.95 -53.37 2.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.029 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -50.44 -52.88 26.75 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.456 1.098 . . . . 0.0 111.01 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.41 150.24 1.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 0.781 . . . . 0.0 109.259 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -88.71 40.79 3.06 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.536 1.148 . . . . 0.0 111.039 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.651 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -79.6 -170.48 2.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.753 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -144.68 121.99 11.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.476 ' NE2' ' HG3' ' A' ' 108' ' ' PRO . 19.5 t60 -55.62 93.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.606 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.94 69.13 76.62 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.03 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.607 ' HB3' HD21 ' A' ' 112' ' ' LEU . 18.4 Cg_endo -74.97 169.32 22.88 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.509 1.794 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.557 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.1 Cg_endo -75.04 -14.66 23.04 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.999 0.02 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.564 ' O ' HG23 ' A' ' 95' ' ' VAL . 42.0 p -57.05 -91.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.361 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -70.38 146.51 50.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.607 HD21 ' HB3' ' A' ' 108' ' ' PRO . 18.1 mt -143.15 165.67 26.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 53.3 t -133.91 127.58 52.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.729 ' HE1' ' HB3' ' A' ' 116' ' ' ALA . 7.7 t90 -91.18 100.45 13.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 108.01 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.1 -46.43 18.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.729 ' HB3' ' HE1' ' A' ' 114' ' ' TRP . . . -41.14 -44.81 2.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.564 ' HG3' ' CH2' ' A' ' 114' ' ' TRP . 38.1 mm-40 -102.94 173.26 6.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -113.98 -25.2 8.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 14.8 t -160.23 151.23 19.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 110.449 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.494 ' CE2' ' CG2' ' A' ' 52' ' ' VAL . 49.2 m95 -68.65 -44.22 74.6 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.426 ' O ' ' ND2' ' A' ' 73' ' ' ASN . . . 131.88 102.67 0.88 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.531 1.145 . . . . 0.0 111.026 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 17.1 p -84.36 -168.68 2.27 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 118.46 166.57 13.7 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 29.1 p -62.52 -64.4 0.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.944 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.939 ' HA ' HG23 ' A' ' 144' ' ' VAL . 33.2 t -84.14 127.84 34.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.035 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -140.42 145.4 36.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 2.5 ttt-85 -142.27 113.32 7.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 23.6 m -111.8 163.65 13.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.398 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.708 ' HB3' ' HB2' ' A' ' 70' ' ' ARG . . . -160.69 163.81 32.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.24 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' A' ' 137' ' ' GLU . 13.5 tp -128.17 131.93 48.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.683 HD13 ' HA ' ' A' ' 137' ' ' GLU . 24.3 mm -113.26 148.32 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.143 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.451 HD22 HG13 ' A' ' 138' ' ' VAL . 9.0 p30 -99.19 -172.47 2.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.352 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 132' ' ' ASN . 0.5 OUTLIER -37.53 -52.07 1.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.029 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 136' ' ' GLU . 71.1 p -86.2 158.22 19.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.399 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -67.29 63.06 0.24 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.543 1.152 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 134' ' ' THR . 18.6 tt0 -143.14 135.67 27.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 0.755 . . . . 0.0 110.327 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.683 ' HA ' HD13 ' A' ' 131' ' ' ILE . 2.2 tt0 -79.56 142.6 35.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 37' ' ' SER . 2.2 m -110.78 -34.2 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -143.97 154.59 43.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 24.1 ptm -134.05 148.21 51.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.417 ' NH2' ' HA ' ' A' ' 44' ' ' GLU . 1.8 tpt180 -141.16 98.54 3.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -102.43 136.96 41.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.14 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.552 HD21 ' HG2' ' A' ' 32' ' ' GLN . 0.2 OUTLIER -143.71 118.41 9.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.939 HG23 ' HA ' ' A' ' 125' ' ' SER . 8.9 p -124.68 149.73 29.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 145' ' ' ARG . . . . . 0.486 ' CG ' ' CE1' ' A' ' 30' ' ' PHE . 35.9 ttt180 -96.71 155.24 16.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 13.7 m -117.83 83.87 2.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.009 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -115.28 178.82 17.97 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.531 1.145 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 147.63 34.03 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.507 1.793 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 35.7 p -167.49 85.66 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.987 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 90.9 p -116.09 163.72 15.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.0 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.536 1.147 . . . . 0.0 110.993 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.5 p -165.66 169.76 14.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 0.784 . . . . 0.0 109.972 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.29 108.52 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.958 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.81 151.6 23.81 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.1 p -172.11 176.7 3.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 110.018 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -146.74 173.14 12.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.98 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.92 119.88 2.25 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.12 -172.95 2.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.8 p -132.79 149.59 52.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.961 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -142.87 176.34 9.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -143.95 -136.47 3.1 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.477 1.11 . . . . 0.0 111.001 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 157.56 148.82 5.25 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -121.29 144.0 16.38 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.8 m -137.95 172.21 13.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 0.763 . . . . 0.0 110.014 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 68.9 t 60.58 107.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -172.23 114.01 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.399 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.35 105.54 8.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.74 162.82 36.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.85 -63.64 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.08 140.53 7.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.3 mm? 49.68 92.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -160.53 121.02 2.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.81 84.12 1.88 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 110.017 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 61.1 p -175.79 134.21 0.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.089 . . . . 0.0 109.99 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -157.93 82.91 0.87 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.0 m -139.1 131.2 28.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 110.018 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.87 145.88 15.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.3 m -165.49 172.14 12.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.977 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.424 ' O ' ' O ' ' A' ' 30' ' ' PHE . 12.2 m -90.89 149.39 21.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.584 ' CZ ' ' HB2' ' A' ' 145' ' ' ARG . 5.5 m-30 57.38 153.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.489 1.118 . . . . 0.0 111.045 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.502 ' HB2' HG13 ' A' ' 144' ' ' VAL . 0.2 OUTLIER -81.08 68.83 7.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.969 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.466 ' CG ' ' HG ' ' A' ' 143' ' ' LEU . 0.0 OUTLIER -56.64 144.35 32.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 110.268 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -155.89 75.82 0.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.567 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.495 ' HB2' ' HG3' ' A' ' 141' ' ' ARG . . . -100.89 161.99 13.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -165.0 112.85 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.298 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.415 HG21 ' HB2' ' A' ' 41' ' ' ALA . 0.9 OUTLIER -88.8 147.7 24.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 110.386 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.9 OUTLIER -156.12 82.23 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.013 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.04 -140.74 7.07 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.446 1.091 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.448 ' CG ' ' HB3' ' A' ' 58' ' ' SER . 9.3 mtm180 -97.03 -41.76 8.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 0.761 . . . . 0.0 110.255 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.517 HG12 ' N ' ' A' ' 41' ' ' ALA . 61.1 t -90.19 166.58 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.517 ' N ' HG12 ' A' ' 40' ' ' VAL . . . -152.09 136.4 16.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.464 ' CG1' HG23 ' A' ' 45' ' ' VAL . 16.5 t -66.09 86.24 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 42' ' ' VAL . 0.7 OUTLIER -37.8 -66.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.317 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -161.91 134.85 6.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.294 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.985 HG22 HG13 ' A' ' 52' ' ' VAL . 5.8 t -120.05 116.41 50.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.42 ' OD2' ' N ' ' A' ' 50' ' ' LYS . 21.5 t70 -54.24 116.13 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.552 ' CD ' ' CE2' ' A' ' 30' ' ' PHE . 2.8 pt-20 -54.97 -36.84 65.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -64.47 -20.35 66.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.325 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.413 ' N ' ' OD2' ' A' ' 46' ' ' ASP . . . 84.24 43.13 7.17 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.555 1.16 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.42 ' N ' ' OD2' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -87.16 -48.63 7.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 0.0 109.322 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.559 ' CD2' ' CZ3' ' A' ' 98' ' ' TRP . 24.0 p90 -156.01 166.73 32.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.985 HG13 HG22 ' A' ' 45' ' ' VAL . 45.5 t -121.83 113.07 37.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.28 114.43 26.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.789 HD11 ' CD1' ' A' ' 69' ' ' ILE . 5.6 mt -115.63 127.68 55.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.446 ' CZ ' ' HE2' ' A' ' 57' ' ' LYS . 0.6 OUTLIER -118.6 149.55 41.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.321 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -98.66 137.17 37.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.446 ' HE2' ' CZ ' ' A' ' 55' ' ' ARG . 1.2 mmtp -106.8 -23.75 12.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.473 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 77.3 p -62.64 151.42 38.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.975 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.439 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 1.5 p30 -81.67 -20.42 39.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -101.26 136.48 41.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.307 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -51.78 130.53 29.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.437 ' HG2' HG23 ' A' ' 40' ' ' VAL . 52.0 tp60 -98.67 114.73 27.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.267 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 74.7 m -74.69 126.23 30.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 110.042 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.406 ' SD ' ' HB2' ' A' ' 89' ' ' LEU . 22.7 mtp -115.06 43.14 2.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 111.033 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -84.33 54.97 4.98 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.447 1.092 . . . . 0.0 110.965 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.496 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 1.0 OUTLIER 156.17 -26.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 0.799 . . . . 0.0 109.298 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.411 ' O ' ' HB2' ' A' ' 83' ' ' PHE . 11.5 m0 -44.07 156.35 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 108.0 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.463 ' OE1' ' N ' ' A' ' 68' ' ' GLN . 1.0 OUTLIER -144.49 171.25 14.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.789 ' CD1' HD11 ' A' ' 54' ' ' LEU . 10.4 mt -129.36 123.48 58.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.254 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.52 ' HB2' ' HB3' ' A' ' 129' ' ' ALA . 26.6 mtt-85 -92.19 135.7 33.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.454 ' O ' HD12 ' A' ' 78' ' ' LEU . 0.7 OUTLIER -138.04 116.36 11.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.662 ' HB2' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -139.69 86.79 2.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.302 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.485 ' HB3' HD23 ' A' ' 126' ' ' LEU . 55.5 m-20 -103.43 147.04 27.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 73' ' ' ASN . . . 37.25 -156.15 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.475 1.109 . . . . 0.0 111.023 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -90.64 64.27 5.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 0.747 . . . . 0.0 109.261 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.425 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 0.4 OUTLIER -118.61 173.75 3.16 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.425 ' CD ' ' CB ' ' A' ' 76' ' ' ASP . 18.5 Cg_endo -74.97 114.88 4.13 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.468 1.773 . . . . 0.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.662 HD13 ' HB2' ' A' ' 72' ' ' GLN . 9.8 tp -52.29 131.03 32.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.155 . . . . 0.0 109.332 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.599 ' N ' HD12 ' A' ' 78' ' ' LEU . 1.2 mpp? -116.63 148.06 41.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 111.027 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 82.7 m -134.43 93.5 3.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.389 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.488 ' CE2' HD12 ' A' ' 97' ' ' ILE . 87.4 t80 -74.79 95.06 2.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.41 ' CD ' ' HG2' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -81.61 117.71 22.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.278 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.638 ' HZ ' HD11 ' A' ' 97' ' ' ILE . 21.7 m-85 -64.1 167.91 7.13 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.419 ' O ' ' HA2' ' A' ' 65' ' ' GLY . 18.4 Cg_endo -74.97 149.59 37.08 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.492 1.785 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.496 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.4 Cg_endo -75.02 4.14 5.01 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.546 1.814 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.06 48.33 2.12 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.563 ' CE1' HD11 ' A' ' 112' ' ' LEU . 12.2 t80 -128.1 142.1 51.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 111.026 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.8 m -141.05 116.58 10.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 110.414 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.406 ' HB2' ' SD ' ' A' ' 64' ' ' MET . 52.3 tp -91.65 91.78 8.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 89' ' ' LEU . 7.2 mtpt -44.49 167.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.473 ' HB1' ' O ' ' A' ' 58' ' ' SER . . . -78.25 128.98 34.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 81.46 9.68 85.49 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.475 1.11 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -93.04 177.1 6.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 110.286 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 11.9 p -148.83 157.07 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.4 p -143.77 136.07 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.417 HG21 ' CE2' ' A' ' 98' ' ' TRP . 23.7 m -108.46 132.75 53.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.391 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.638 HD11 ' HZ ' ' A' ' 83' ' ' PHE . 0.3 OUTLIER -110.66 79.8 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.559 ' CZ3' ' CD2' ' A' ' 51' ' ' PHE . 59.8 m95 -69.65 157.13 37.83 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.539 ' HB1' ' HA ' ' A' ' 119' ' ' THR . . . -106.74 139.38 41.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.5 t -40.72 -52.2 2.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.011 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -49.85 -41.94 37.0 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.504 1.128 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 99' ' ' ALA . . . -47.69 -62.18 1.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 104.11 28.23 5.93 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -77.55 -165.13 0.56 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 0.782 . . . . 0.0 109.341 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.01 127.75 48.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.4 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.477 ' CE1' HD23 ' A' ' 112' ' ' LEU . 14.7 t60 -68.05 93.41 0.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.582 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.18 75.96 59.96 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.994 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.538 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.2 Cg_endo -74.94 168.95 23.69 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.501 1.79 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.538 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -74.97 -18.41 18.76 Favored 'Cis proline' 0 C--N 1.359 1.13 0 C-N-CA 121.016 -2.493 . . . . 0.0 111.019 -0.039 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 37.4 p -54.35 -87.11 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.434 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.439 ' OD1' ' NE1' ' A' ' 98' ' ' TRP . 32.7 m-20 -67.4 136.34 54.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.563 HD11 ' CE1' ' A' ' 87' ' ' PHE . 15.6 mt -142.95 105.11 4.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 53.7 t -79.19 137.75 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.52 ' CD2' ' HB2' ' A' ' 117' ' ' GLN . 5.8 t90 -96.08 99.73 11.45 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.2 mttp -84.26 -43.67 14.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.351 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -44.53 -45.01 9.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.52 ' HB2' ' CD2' ' A' ' 114' ' ' TRP . 0.9 OUTLIER -100.4 173.52 6.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.265 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.598 ' OD1' HG22 ' A' ' 119' ' ' THR . 1.5 p30 -110.73 -20.09 12.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.103 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.598 HG22 ' OD1' ' A' ' 118' ' ' ASN . 10.2 t -167.06 165.0 15.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.4 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.405 ' CE2' HG23 ' A' ' 52' ' ' VAL . 34.4 m95 -87.5 -13.21 43.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 108.027 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 89.46 162.4 38.39 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.521 1.138 . . . . 0.0 111.034 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.49 ' HA ' ' CD2' ' A' ' 126' ' ' LEU . 1.5 p -164.39 -175.9 4.13 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 125' ' ' SER . . . 141.68 50.57 0.04 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.541 1.151 . . . . 0.0 110.99 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.456 ' CB ' ' HB3' ' A' ' 145' ' ' ARG . 1.5 t 65.7 -71.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 109.992 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.797 ' HA ' HG23 ' A' ' 144' ' ' VAL . 8.0 t -78.08 124.47 28.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.977 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.49 ' CD2' ' HA ' ' A' ' 122' ' ' CYS . 0.4 OUTLIER -134.94 154.13 51.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -157.43 91.61 1.17 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 110.302 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 19.0 m -96.42 147.97 23.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.391 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.52 ' HB3' ' HB2' ' A' ' 70' ' ' ARG . . . -143.06 159.83 41.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.506 HD23 HG23 ' A' ' 138' ' ' VAL . 12.2 tp -120.56 130.89 54.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.533 HG23 ' O ' ' A' ' 136' ' ' GLU . 26.0 mm -112.29 147.9 15.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.814 ' OD1' HG22 ' A' ' 134' ' ' THR . 8.0 p30 -101.84 -169.48 1.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 132' ' ' ASN . 2.6 p -36.92 -57.19 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.019 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.814 HG22 ' OD1' ' A' ' 132' ' ' ASN . 3.7 t -82.1 160.3 23.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 110.402 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -68.74 59.67 0.5 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.554 1.159 . . . . 0.0 111.039 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' GLU . . . . . 0.533 ' O ' HG23 ' A' ' 131' ' ' ILE . 12.7 tt0 -137.84 146.93 44.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 0.786 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.522 ' HA ' HD13 ' A' ' 131' ' ' ILE . 13.8 tt0 -88.7 140.28 29.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.348 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.506 HG23 HD23 ' A' ' 130' ' ' LEU . 4.4 m -111.79 -28.54 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -147.72 161.4 41.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 26.3 ptm -144.66 156.33 44.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.964 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.495 ' HG3' ' HB2' ' A' ' 34' ' ' ALA . 4.1 ttt85 -148.91 88.82 1.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.426 ' HG2' ' N ' ' A' ' 143' ' ' LEU . 10.1 tttt -85.61 150.69 24.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.466 ' HG ' ' CG ' ' A' ' 32' ' ' GLN . 0.2 OUTLIER -160.87 114.0 1.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.245 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.797 HG23 ' HA ' ' A' ' 125' ' ' SER . 11.9 p -123.18 153.36 28.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' ARG . . . . . 0.584 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 16.0 ttt85 -102.0 152.97 20.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.41 ' N ' ' CG ' ' A' ' 145' ' ' ARG . 10.8 t -87.23 85.29 7.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.992 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -93.29 -163.08 36.76 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 126.22 9.8 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.496 1.787 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.3 t -93.49 -55.93 3.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.977 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.76 131.65 50.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.022 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.118 . . . . 0.0 110.952 179.984 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 p -168.9 167.52 10.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 0.792 . . . . 0.0 110.035 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.04 -58.26 1.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.033 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.4 153.87 29.96 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.45 1.094 . . . . 0.0 111.036 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -176.7 152.37 0.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 0.757 . . . . 0.0 109.999 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.8 p -166.45 165.97 16.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.994 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.61 -147.45 6.97 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -163.13 129.54 3.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 0.776 . . . . 0.0 110.303 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.51 152.23 0.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.012 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -177.89 138.1 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.268 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -141.8 163.88 26.85 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.515 1.134 . . . . 0.0 110.958 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.76 175.95 28.23 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.13 128.73 3.13 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 38.1 p -172.56 155.25 3.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 0.775 . . . . 0.0 110.042 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.1 p -155.91 127.71 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.334 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.1 m -107.56 128.65 54.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.443 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -122.81 115.35 21.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -161.26 158.86 27.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -128.67 92.37 3.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.09 . . . . 0.0 110.283 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.79 161.56 42.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.81 67.78 6.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.42 ' OE2' ' CZ ' ' A' ' 35' ' ' ARG . 5.7 tt0 -99.05 142.88 29.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.538 1.149 . . . . 0.0 110.303 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.2 t -172.87 106.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.986 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 93.4 p -165.97 150.35 8.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 110.038 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -166.48 93.4 0.49 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 110.325 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.43 156.33 22.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.7 88.0 1.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.39 -51.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.958 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.9 m -140.9 84.11 1.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.036 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.596 ' CE2' ' OE2' ' A' ' 47' ' ' GLU . 6.6 m-30 58.94 151.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.613 ' O ' ' CE1' ' A' ' 33' ' ' HIS . 4.4 t -69.41 60.77 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.999 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -40.41 146.0 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.755 ' NE2' HG23 ' A' ' 144' ' ' VAL . 0.0 OUTLIER -157.11 86.28 0.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.591 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.488 ' CB ' ' HA ' ' A' ' 141' ' ' ARG . . . -108.02 158.87 17.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.42 ' CZ ' ' OE2' ' A' ' 22' ' ' GLU . 1.3 mpp_? -154.07 117.11 4.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -91.34 148.48 22.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.397 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 138' ' ' VAL . 3.2 m -156.16 82.46 0.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.013 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 160.0 -139.24 6.01 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.125 . . . . 0.0 110.99 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.495 ' HD3' ' CG ' ' A' ' 60' ' ' GLU . 5.3 mtm-85 -100.83 -41.26 6.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 0.753 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.539 HG23 ' HG2' ' A' ' 62' ' ' GLN . 68.2 t -95.58 158.18 3.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.143 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -141.07 153.16 45.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.791 ' HA ' HD23 ' A' ' 54' ' ' LEU . 98.3 t -77.28 88.88 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.99 -67.4 0.25 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -159.07 125.45 4.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.849 HG22 HG13 ' A' ' 52' ' ' VAL . 13.9 t -115.45 102.66 14.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -46.48 112.85 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.117 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.829 ' HB3' HD22 ' A' ' 143' ' ' LEU . 5.7 pt-20 -57.74 -38.68 75.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.39 -26.09 28.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.7 63.08 1.49 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.2 mtmm -117.62 -45.31 2.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 0.74 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.463 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 50.6 p90 -158.05 157.78 33.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.954 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.849 HG13 HG22 ' A' ' 45' ' ' VAL . 20.1 t -120.12 114.37 43.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.6 124.99 43.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.791 HD23 ' HA ' ' A' ' 42' ' ' VAL . 26.0 mt -117.96 129.76 55.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.2 ttm180 -119.26 154.68 33.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 37.2 t-20 -102.49 122.73 44.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.4 mmpt? -95.56 -28.27 14.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.571 1.17 . . . . 0.0 109.338 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.28 169.73 2.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.438 1.086 . . . . 0.0 110.016 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -110.25 17.09 21.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.495 ' CG ' ' HD3' ' A' ' 39' ' ' ARG . 2.2 pt-20 -132.16 127.38 35.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 110.334 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -44.93 114.28 0.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.539 ' HG2' HG23 ' A' ' 40' ' ' VAL . 50.4 tp60 -91.78 116.85 29.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.323 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.61 142.97 44.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.047 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.416 ' SD ' ' CE3' ' A' ' 67' ' ' TRP . 0.4 OUTLIER -134.68 34.84 3.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.502 ' CA ' ' HA ' ' A' ' 85' ' ' PRO . . . -78.85 56.38 4.26 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 1.0 OUTLIER 156.19 -25.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 109.313 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.436 ' CG ' ' HA ' ' A' ' 132' ' ' ASN . 13.4 m0 -44.29 163.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 108.022 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -148.28 170.89 16.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.956 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 4.0 mt -130.95 122.32 51.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.439 1.087 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.6 mtt-85 -96.13 139.08 32.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.26 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -140.68 116.53 10.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.474 ' HB2' HD13 ' A' ' 78' ' ' LEU . 16.3 tm0? -140.4 102.87 4.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.791 ' HB3' HD23 ' A' ' 126' ' ' LEU . 23.7 m-20 -120.89 139.53 53.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 73' ' ' ASN . . . 37.52 -154.13 0.02 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.517 1.135 . . . . 0.0 110.987 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -80.48 76.85 7.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 0.793 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -137.52 160.87 63.55 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 111.39 3.31 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.479 1.779 . . . . 0.0 110.983 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.474 HD13 ' HB2' ' A' ' 72' ' ' GLN . 4.3 tp -55.22 121.71 9.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -106.1 143.71 33.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 43.8 m -123.42 91.19 3.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 110.393 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.574 ' HB2' ' CH2' ' A' ' 114' ' ' TRP . 62.0 t80 -73.29 95.08 2.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 111.032 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -78.8 117.76 20.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.335 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.956 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 22.0 m-85 -63.06 167.12 6.68 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.437 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.1 Cg_endo -75.04 146.95 33.11 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.499 1.789 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.502 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.3 Cg_endo -74.97 15.63 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.477 1.777 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.437 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.0 OUTLIER -135.21 40.88 2.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -124.93 150.02 47.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -154.91 114.41 3.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.376 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 36.8 tp -83.79 100.07 10.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.33 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.9 mtpt -51.3 171.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.75 126.0 30.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 79.35 10.32 86.09 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.439 1.087 . . . . 0.0 110.961 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -88.94 173.9 8.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 0.79 . . . . 0.0 110.243 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.7 p -146.52 157.17 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.1 p -145.42 147.65 18.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 28.6 m -122.65 126.08 46.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 110.414 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.558 ' N ' HD12 ' A' ' 97' ' ' ILE . 3.9 mp -113.47 83.84 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.495 ' CG ' ' CB ' ' A' ' 104' ' ' ALA . 46.1 m95 -64.68 161.22 18.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 107.98 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.822 ' HB2' ' CD1' ' A' ' 120' ' ' TRP . . . -103.14 139.32 38.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.509 ' H ' ' NE2' ' A' ' 117' ' ' GLN . 9.4 t -37.52 -47.95 0.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 109.955 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 118' ' ' ASN . . . -57.17 -48.17 81.97 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.528 1.142 . . . . 0.0 111.03 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 99' ' ' ALA . . . -40.63 -54.47 2.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 0.779 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 89.42 23.68 33.36 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.553 1.158 . . . . 0.0 111.017 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.495 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -60.07 -160.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 0.747 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -125.76 113.51 17.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.403 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.49 ' CE1' HD23 ' A' ' 112' ' ' LEU . 8.3 t60 -56.05 111.51 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.614 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.463 ' CB ' ' HB2' ' A' ' 111' ' ' ASP . 0.5 OUTLIER -144.52 66.29 13.58 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.981 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.546 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.1 Cg_endo -75.07 169.29 22.92 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.477 1.777 . . . . 0.0 111.015 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.546 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.4 Cg_endo -74.95 -13.41 23.52 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 120.995 -2.502 . . . . 0.0 111.058 -0.037 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 107' ' ' SER . 42.3 p -56.01 -74.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.385 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.463 ' HB2' ' CB ' ' A' ' 107' ' ' SER . 37.4 m-20 -83.41 150.3 26.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.49 HD23 ' CE1' ' A' ' 106' ' ' HIS . 28.2 mt -146.12 147.59 31.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 55.1 t -124.1 120.42 59.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.76 ' NE1' ' HB3' ' A' ' 116' ' ' ALA . 5.8 t90 -83.26 97.31 8.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 107.987 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 116' ' ' ALA . 7.9 mtmt -76.31 -45.23 33.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.76 ' HB3' ' NE1' ' A' ' 114' ' ' TRP . . . -36.81 -69.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.656 ' HG3' ' CG ' ' A' ' 114' ' ' TRP . 0.6 OUTLIER -76.2 175.28 9.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.273 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 101' ' ' GLY . 0.2 OUTLIER -115.35 -24.67 8.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 120' ' ' TRP . 6.5 t -160.59 123.07 3.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.422 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.822 ' CD1' ' HB2' ' A' ' 99' ' ' ALA . 32.4 m95 -40.79 -46.94 2.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 108.006 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 138.18 138.61 3.73 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.414 ' C ' HD21 ' A' ' 126' ' ' LEU . 1.4 p -120.99 -176.35 3.25 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.42 ' N ' HD21 ' A' ' 126' ' ' LEU . . . 124.62 153.18 8.51 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.514 1.134 . . . . 0.0 111.023 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 33.1 p -57.86 -31.05 66.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 0.793 . . . . 0.0 110.015 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 36.9 p -111.28 119.19 38.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.02 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.791 HD23 ' HB3' ' A' ' 73' ' ' ASN . 0.2 OUTLIER -135.02 156.3 49.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.29 112.83 2.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 11.4 m -108.16 153.03 23.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.383 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -146.6 158.68 43.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.455 HD23 HG23 ' A' ' 138' ' ' VAL . 14.2 tp -123.02 131.84 53.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.525 HD13 ' HA ' ' A' ' 137' ' ' GLU . 23.1 mm -113.56 150.24 15.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.451 ' OD1' HG22 ' A' ' 134' ' ' THR . 13.1 p30 -102.74 -168.06 1.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.248 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.485 ' OG ' ' N ' ' A' ' 134' ' ' THR . 1.0 OUTLIER -36.24 -64.1 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 110.025 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.485 ' N ' ' OG ' ' A' ' 133' ' ' SER . 14.7 t -81.57 163.69 22.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.386 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -67.4 64.5 0.26 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 134' ' ' THR . 11.8 tt0 -140.07 133.13 29.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 110.279 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.525 ' HA ' HD13 ' A' ' 131' ' ' ILE . 3.9 tt0 -78.83 146.79 33.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 37' ' ' SER . 1.0 OUTLIER -116.43 -36.01 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -146.02 160.48 41.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 22.0 ptm -148.24 153.58 38.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.488 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 9.3 ttm180 -140.64 94.45 2.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.519 ' HB3' ' CD2' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -83.83 158.48 21.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.361 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.829 HD22 ' HB3' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -155.67 107.73 2.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.755 HG23 ' NE2' ' A' ' 33' ' ' HIS . 21.2 t -115.98 118.89 60.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' ARG . . . . . 0.579 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 22.4 ttt180 -78.31 140.64 38.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 110.324 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 1.3 m 42.51 -150.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.964 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -162.49 -146.06 4.55 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 82.33 2.01 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.491 1.785 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.56 -60.42 1.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 24.2 t -80.54 162.56 24.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.96 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.451 1.094 . . . . 0.0 111.029 -179.992 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -156.53 125.46 5.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 0.791 . . . . 0.0 109.979 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.5 p -153.03 168.06 27.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 110.0 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.81 -134.76 1.73 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.465 1.103 . . . . 0.0 110.958 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.29 158.18 1.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 0.734 . . . . 0.0 109.952 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.7 156.94 13.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.012 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.53 -167.92 11.12 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.539 1.149 . . . . 0.0 110.999 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.52 170.14 3.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 0.749 . . . . 0.0 110.296 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 t -165.68 167.66 16.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 110.062 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -134.1 164.59 27.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.241 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -116.53 -130.37 4.52 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.502 1.126 . . . . 0.0 110.957 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -153.36 164.84 31.17 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -103.27 -145.48 15.31 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 176.45 90.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 0.772 . . . . 0.0 110.039 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.3 m -105.38 138.92 28.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.68 HG23 ' O ' ' A' ' 16' ' ' THR . 15.2 t -150.59 60.82 0.94 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.368 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.7 tppt? -80.53 123.1 27.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.7 tttm -122.89 150.15 43.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -69.84 87.01 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -170.58 96.05 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.69 150.55 47.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -153.15 148.5 27.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.2 m -100.27 141.92 32.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.014 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.65 91.52 3.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.991 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -118.43 123.68 45.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 110.266 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.5 m 65.42 82.1 0.19 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.023 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.81 138.59 27.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 64.7 p 177.68 121.07 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.478 1.111 . . . . 0.0 109.997 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.434 ' O ' ' O ' ' A' ' 30' ' ' PHE . 19.7 m 63.61 139.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 110.011 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.604 ' CE2' ' OE2' ' A' ' 47' ' ' GLU . 3.8 m-30 57.78 149.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.969 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.491 ' HB2' ' CG1' ' A' ' 144' ' ' VAL . 0.5 OUTLIER -79.45 66.13 4.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.979 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.45 144.26 7.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 110.309 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -157.61 77.02 0.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.588 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -100.06 160.17 14.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.23 106.16 1.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.309 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.503 HG21 ' HB2' ' A' ' 41' ' ' ALA . 0.9 OUTLIER -87.36 148.88 24.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.384 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.2 OUTLIER -156.11 82.2 1.0 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.999 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 161.81 -145.92 11.45 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.452 1.095 . . . . 0.0 111.036 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.457 ' NE ' ' CD ' ' A' ' 60' ' ' GLU . 7.1 mtm-85 -94.46 -44.61 7.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 0.782 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 75.2 t -93.79 153.19 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.658 ' HB3' ' CD ' ' A' ' 57' ' ' LYS . . . -139.21 149.93 44.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.674 ' CG1' HG23 ' A' ' 45' ' ' VAL . 66.4 t -72.16 85.97 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 42' ' ' VAL . 7.4 tm-20 -37.46 -64.73 0.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -159.15 132.76 7.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.314 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.821 HG22 HG13 ' A' ' 52' ' ' VAL . 6.9 t -124.56 115.53 44.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -58.01 117.28 4.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.604 ' OE2' ' CE2' ' A' ' 30' ' ' PHE . 6.5 pt-20 -58.89 -39.11 80.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.103 . . . . 0.0 110.307 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.4 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -54.54 -27.63 39.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.31 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.23 59.6 1.74 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.512 1.132 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.686 ' HD2' ' HB1' ' A' ' 102' ' ' ALA . 0.5 OUTLIER -112.02 -43.63 3.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.275 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.574 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 41.9 p90 -158.31 157.8 33.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.821 HG13 HG22 ' A' ' 45' ' ' VAL . 42.0 t -119.45 117.01 52.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.15 127.58 49.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.683 ' O ' HG13 ' A' ' 94' ' ' VAL . 4.3 mt -124.02 142.74 50.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.511 ' CG ' HG22 ' A' ' 94' ' ' VAL . 26.9 ttp85 -131.74 148.76 52.6 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -100.95 111.22 23.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.658 ' CD ' ' HB3' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -77.5 -33.84 54.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 m -58.2 158.47 7.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.041 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -98.66 15.82 23.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.653 ' C ' ' HB2' ' A' ' 91' ' ' ALA . 2.4 pt-20 -119.59 154.68 33.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.345 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -72.37 115.05 11.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.408 ' CD ' ' CZ2' ' A' ' 67' ' ' TRP . 9.3 tp-100 -92.02 115.76 28.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.9 m -79.22 125.6 29.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.023 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.565 ' HA ' ' CD1' ' A' ' 67' ' ' TRP . 45.1 mtp -116.35 34.15 5.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.525 ' CA ' ' HA ' ' A' ' 85' ' ' PRO . . . -78.18 52.81 3.76 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.512 1.132 . . . . 0.0 111.026 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER 158.98 -26.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 0.741 . . . . 0.0 109.279 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.565 ' CD1' ' HA ' ' A' ' 64' ' ' MET . 11.0 m0 -42.05 157.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.496 ' O ' HD12 ' A' ' 130' ' ' LEU . 2.2 mp0 -143.16 167.15 22.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.353 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.933 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 2.5 mt -129.41 121.47 53.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.597 HH21 HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -95.89 134.29 39.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.239 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.506 ' CZ ' ' O ' ' A' ' 120' ' ' TRP . 9.9 tpt180 -129.99 118.46 21.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.437 ' CB ' ' HG ' ' A' ' 78' ' ' LEU . 13.3 tm0? -125.6 126.36 44.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.448 ' ND2' ' C ' ' A' ' 121' ' ' GLY . 1.9 m120 -127.03 148.08 50.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -51.72 141.29 23.81 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 41.29 55.07 3.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.76 . . . . 0.0 109.345 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -160.67 156.13 21.54 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 150.41 37.98 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.597 HD13 HH21 ' A' ' 70' ' ' ARG . 1.6 tt -86.04 127.67 34.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.43 ' N ' HD23 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -104.96 147.73 27.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 38.0 m -131.19 99.08 4.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.392 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.509 ' CE2' HG21 ' A' ' 97' ' ' ILE . 88.1 t80 -85.61 93.41 8.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.59 117.22 20.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.933 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 26.9 m-85 -63.15 165.93 9.51 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.964 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.49 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.3 Cg_endo -75.04 145.38 31.24 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.544 1.813 . . . . 0.0 110.979 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.525 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.3 Cg_endo -74.98 21.98 0.42 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.491 1.785 . . . . 0.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.49 ' H ' ' C ' ' A' ' 84' ' ' PRO . 1.3 mmmp? -138.81 37.13 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -128.86 140.46 51.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.82 112.55 7.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 110.404 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 90' ' ' LYS . 40.2 tp -80.4 95.78 6.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 89' ' ' LEU . 8.2 mtpt -47.62 173.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.653 ' HB2' ' C ' ' A' ' 60' ' ' GLU . . . -82.41 136.94 34.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.87 2.94 58.52 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -86.98 176.31 7.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 0.796 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.683 HG13 ' O ' ' A' ' 54' ' ' LEU . 18.0 t -149.29 143.65 18.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 110' ' ' THR . 3.3 p -130.13 140.76 48.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 112' ' ' LEU . 56.1 m -116.13 133.91 55.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.396 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.509 HG21 ' CE2' ' A' ' 81' ' ' TYR . 4.3 mp -119.7 86.01 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.574 ' CE3' ' HB3' ' A' ' 51' ' ' PHE . 47.8 m95 -71.08 167.47 19.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 108.008 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 100' ' ' SER . . . -105.71 145.32 31.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 99' ' ' ALA . 4.1 t -38.06 -45.8 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.998 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -104.71 73.8 0.24 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.483 1.114 . . . . 0.0 110.981 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.686 ' HB1' ' HD2' ' A' ' 50' ' ' LYS . . . -152.22 23.35 0.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 41.49 42.74 3.59 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.512 1.132 . . . . 0.0 110.953 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.555 ' CB ' ' CB ' ' A' ' 98' ' ' TRP . . . -96.17 -176.45 3.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 0.765 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -142.05 112.34 7.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.407 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.573 ' CE1' HD23 ' A' ' 112' ' ' LEU . 7.7 t60 -52.57 109.69 0.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.572 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.47 ' CB ' ' HB2' ' A' ' 111' ' ' ASP . 0.3 OUTLIER -140.34 66.41 29.94 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.545 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.1 Cg_endo -75.02 169.13 23.29 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.538 1.81 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.545 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -74.98 -11.0 24.22 Favored 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 121.047 -2.48 . . . . 0.0 111.013 0.035 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.503 ' O ' HG23 ' A' ' 95' ' ' VAL . 33.3 p -59.96 -85.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 110.417 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.47 ' HB2' ' CB ' ' A' ' 107' ' ' SER . 26.5 m-20 -74.66 146.98 41.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.573 HD23 ' CE1' ' A' ' 106' ' ' HIS . 22.9 mt -140.38 161.29 38.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 46.9 t -128.67 128.72 68.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.58 ' NE1' ' HB3' ' A' ' 116' ' ' ALA . 4.8 t90 -87.33 107.86 18.71 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.32 -36.23 16.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.58 ' HB3' ' NE1' ' A' ' 114' ' ' TRP . . . -54.89 -48.56 72.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.487 ' HB2' ' CD2' ' A' ' 114' ' ' TRP . 0.7 OUTLIER -100.13 172.97 6.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -113.45 -19.83 11.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.603 HG23 ' H ' ' A' ' 121' ' ' GLY . 10.5 t -158.81 166.74 31.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.416 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.506 ' O ' ' CZ ' ' A' ' 71' ' ' ARG . 54.6 m95 -94.95 34.88 1.31 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 108.007 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.603 ' H ' HG23 ' A' ' 119' ' ' THR . . . 67.2 146.23 0.09 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 1.5 p -128.97 -175.11 3.45 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 119.08 157.98 10.55 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.525 1.141 . . . . 0.0 110.96 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 145' ' ' ARG . 4.2 p -56.08 -49.08 74.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 0.752 . . . . 0.0 109.967 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.944 ' HA ' HG23 ' A' ' 144' ' ' VAL . 4.3 m -94.18 125.14 38.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.031 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.506 HD13 ' O ' ' A' ' 47' ' ' GLU . 0.8 OUTLIER -134.31 155.48 50.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.19 123.35 5.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.301 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 51.8 m -119.64 153.23 35.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.379 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -153.08 158.78 42.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.496 HD12 ' O ' ' A' ' 68' ' ' GLN . 13.9 tp -122.41 129.7 52.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.491 HD13 ' O ' ' A' ' 130' ' ' LEU . 20.5 mm -113.61 122.51 67.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.273 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 133' ' ' SER . 9.9 p30 -74.74 -174.25 2.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.241 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 132' ' ' ASN . 1.0 OUTLIER -35.13 -61.18 0.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.959 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 136' ' ' GLU . 51.8 p -76.91 160.11 29.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.42 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -68.41 59.49 0.44 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.478 1.111 . . . . 0.0 111.053 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 134' ' ' THR . 12.5 tt0 -137.24 140.46 41.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 0.771 . . . . 0.0 110.277 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.431 ' HA ' ' O ' ' A' ' 130' ' ' LEU . 24.9 tt0 -83.88 145.04 28.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 37' ' ' SER . 1.6 m -114.16 -39.05 2.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -144.66 162.78 35.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 15.6 ptm -146.64 153.37 40.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 20.8 ttm-85 -141.81 93.08 2.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -88.69 149.02 23.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -158.2 114.86 2.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.944 HG23 ' HA ' ' A' ' 125' ' ' SER . 5.3 p -123.44 153.2 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' ARG . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 64.3 ttt180 -101.05 140.57 35.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.301 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 71.22 -73.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.992 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 142.71 156.62 6.85 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -64.28 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.484 1.781 . . . . 0.0 111.045 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 60.1 p -65.86 164.53 14.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.008 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.2 m -139.84 114.59 9.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.984 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.52 1.138 . . . . 0.0 111.012 179.972 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.9 t -178.47 148.48 0.46 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.4 0.706 . . . . 0.0 110.031 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.2 p -178.79 169.83 1.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.009 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.93 157.52 7.97 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.4 p -175.59 -58.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.515 0.774 . . . . 0.0 109.976 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.3 p 63.43 174.31 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 110.001 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.49 -123.56 7.6 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.485 1.116 . . . . 0.0 110.961 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.2 70.9 0.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 0.0 110.297 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.4 p -166.58 155.69 10.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.008 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -178.28 154.26 0.82 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -176.49 -175.73 44.07 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.75 178.2 19.31 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 113.85 161.19 14.06 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.1 t -176.26 -62.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.748 . . . . 0.0 110.039 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.465 ' O ' HG12 ' A' ' 15' ' ' VAL . 53.5 t 56.04 78.96 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.1 t -168.22 118.26 0.77 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.429 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -174.91 121.04 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.08 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.09 63.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 109.366 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.75 122.89 10.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.265 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -155.63 176.74 12.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -174.51 63.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -179.4 117.9 0.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.135 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.5 m -129.96 95.73 4.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 110.008 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.8 m 42.53 82.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.985 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -88.01 -63.27 1.33 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.276 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m 46.98 90.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.977 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 57.73 163.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.13 150.24 4.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.979 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 62.0 m -124.02 153.19 41.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.022 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.581 ' CE2' ' CD ' ' A' ' 47' ' ' GLU . 9.3 m-30 -48.16 157.72 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 144' ' ' VAL . 12.9 t -67.92 69.34 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.996 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.489 ' OE1' HD21 ' A' ' 143' ' ' LEU . 10.1 mt-30 -52.9 149.23 6.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.362 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 -159.8 78.49 0.69 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.138 . . . . 0.0 109.604 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.46 ' CB ' ' HA ' ' A' ' 141' ' ' ARG . . . -101.61 157.82 16.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -155.75 110.56 2.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.9 147.12 28.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 110.414 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.2 OUTLIER -156.25 81.78 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.977 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.38 -131.81 2.84 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -107.66 -40.84 5.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 0.77 . . . . 0.0 110.33 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.518 HG12 ' N ' ' A' ' 41' ' ' ALA . 99.3 t -91.53 166.33 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.518 ' N ' HG12 ' A' ' 40' ' ' VAL . . . -152.31 137.65 17.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.521 ' CG1' HG23 ' A' ' 45' ' ' VAL . 41.9 t -66.28 89.31 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.77 -67.57 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.273 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -158.96 133.97 8.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.757 HG22 HG13 ' A' ' 52' ' ' VAL . 11.4 t -123.09 121.07 62.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.52 ' CG ' ' CE1' ' A' ' 51' ' ' PHE . 5.5 m-20 -57.93 116.46 3.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.648 ' HB3' HD22 ' A' ' 143' ' ' LEU . 6.9 pt-20 -48.98 -40.24 29.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.286 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -62.68 -37.36 86.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.472 ' CA ' ' HB2' ' A' ' 120' ' ' TRP . . . 101.37 38.19 3.34 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.99 -38.04 23.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 0.767 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.52 ' CE1' ' CG ' ' A' ' 46' ' ' ASP . 43.8 p90 -162.35 159.51 25.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.757 HG13 HG22 ' A' ' 45' ' ' VAL . 42.4 t -123.22 115.6 46.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -100.5 122.98 44.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.805 HD11 ' CD1' ' A' ' 69' ' ' ILE . 6.0 mt -116.73 135.61 53.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -123.5 151.19 43.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 110.288 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -103.26 129.26 50.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -102.67 -15.8 16.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.629 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 45.0 t -66.47 170.56 5.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.018 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.473 ' C ' ' CB ' ' A' ' 91' ' ' ALA . 2.9 p30 -101.41 -25.19 14.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -100.13 137.04 39.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -46.03 138.69 4.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.321 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 89' ' ' LEU . 9.8 tp-100 -103.97 119.17 38.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.281 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 39.6 p -82.18 117.68 22.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.991 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.438 ' HE2' ' CD2' ' A' ' 83' ' ' PHE . 20.4 mtp -112.59 45.38 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -86.93 55.43 4.62 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.533 1.145 . . . . 0.0 110.974 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.512 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 1.1 m-20 154.9 -23.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.762 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.412 ' O ' ' O ' ' A' ' 66' ' ' ASN . 11.1 m0 -44.45 165.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.456 ' O ' HD12 ' A' ' 130' ' ' LEU . 3.7 mt-30 -152.07 169.07 23.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.805 ' CD1' HD11 ' A' ' 54' ' ' LEU . 8.4 mt -129.58 125.75 61.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.497 ' CZ ' HD21 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -99.69 135.98 40.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.469 ' HB3' ' CG ' ' A' ' 79' ' ' MET . 4.8 tpp180 -134.97 104.43 5.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.87 141.15 36.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.137 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -135.51 135.24 40.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -48.48 140.31 10.68 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.443 1.089 . . . . 0.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 40.58 57.18 2.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 0.771 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -163.3 166.15 13.38 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 161.5 38.8 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.538 1.809 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.497 HD21 ' CZ ' ' A' ' 70' ' ' ARG . 16.3 tp -107.32 130.49 54.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.625 ' SD ' ' CH2' ' A' ' 114' ' ' TRP . 17.1 ptp -112.83 151.21 30.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 57.4 m -132.83 97.35 4.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.407 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.585 ' HB2' ' CH2' ' A' ' 114' ' ' TRP . 77.9 t80 -75.99 96.35 3.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.5 ttt180 -80.06 128.62 33.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.271 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.573 ' CE2' HD11 ' A' ' 69' ' ' ILE . 14.6 m-85 -76.33 166.14 47.3 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.509 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.2 Cg_endo -75.0 146.49 32.69 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.55 1.816 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.486 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.4 Cg_endo -74.98 23.83 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.463 1.77 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.509 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.0 OUTLIER -142.05 30.03 1.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -113.24 151.06 31.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.2 m -155.0 113.16 3.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.459 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 62' ' ' GLN . 49.1 tp -86.44 95.81 9.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.0 mtpt -48.47 164.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.629 ' HB1' ' O ' ' A' ' 58' ' ' SER . . . -76.84 133.72 39.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.86 6.34 87.12 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -95.07 173.27 7.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 0.768 . . . . 0.0 110.284 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.1 p -141.93 158.66 20.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 110' ' ' THR . 14.1 p -144.78 149.67 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 33.5 m -122.74 131.04 53.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 110.368 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.497 ' N ' HD12 ' A' ' 97' ' ' ILE . 4.6 mp -116.59 79.78 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.486 ' CG ' ' CB ' ' A' ' 104' ' ' ALA . 53.7 m95 -64.5 160.62 18.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 107.979 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 102' ' ' ALA . . . -108.51 139.6 43.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 99' ' ' ALA . 4.6 t -36.4 -54.64 0.84 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.995 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 118' ' ' ASN . . . -47.98 -46.82 26.31 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.52 1.137 . . . . 0.0 111.068 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 99' ' ' ALA . . . -47.12 -57.84 4.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 93.16 22.9 26.2 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.486 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -58.88 -160.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -125.53 116.36 21.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 110.388 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.454 ' CE1' HD23 ' A' ' 112' ' ' LEU . 11.8 t60 -58.4 111.4 1.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 109.601 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.501 ' CB ' ' HB2' ' A' ' 111' ' ' ASP . 0.3 OUTLIER -142.73 68.8 19.58 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.028 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.538 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.4 Cg_endo -75.0 169.38 22.75 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.538 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.2 Cg_endo -75.0 -10.85 24.25 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 121.011 -2.495 . . . . 0.0 111.006 -0.006 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.731 ' O ' HG23 ' A' ' 95' ' ' VAL . 33.0 p -59.75 -82.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.412 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.501 ' HB2' ' CB ' ' A' ' 107' ' ' SER . 71.3 m-20 -72.03 147.71 46.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.481 ' CD2' ' HB3' ' A' ' 108' ' ' PRO . 45.7 mt -146.23 144.89 30.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 40.6 t -119.9 116.27 49.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.247 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.743 ' HE1' ' HB3' ' A' ' 116' ' ' ALA . 6.1 t90 -82.02 103.27 11.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 108.019 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.465 ' O ' ' C ' ' A' ' 116' ' ' ALA . 35.2 mttt -82.89 -47.1 12.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.743 ' HB3' ' HE1' ' A' ' 114' ' ' TRP . . . -35.19 -51.49 0.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.658 ' HG3' ' CG ' ' A' ' 114' ' ' TRP . 0.7 OUTLIER -98.63 176.03 5.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.31 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 101' ' ' GLY . 0.9 OUTLIER -116.64 -30.79 5.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.158 . . . . 0.0 109.285 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 9.3 t -152.98 127.95 9.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 110.411 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.487 ' CE2' ' CG2' ' A' ' 52' ' ' VAL . 40.0 m95 -43.76 -42.79 5.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 107.986 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 133.78 115.33 1.58 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.454 1.097 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 2.7 m -93.78 -179.2 4.92 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 130.75 155.2 8.17 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.532 1.145 . . . . 0.0 110.984 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 90.4 p -61.72 -43.43 98.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.988 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 43.0 t -99.63 117.25 33.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.013 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.515 HD13 ' O ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -135.13 150.65 50.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.411 1.07 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -154.21 104.22 2.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.264 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 18.6 m -96.07 163.71 13.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.428 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.433 ' HB1' ' OE2' ' A' ' 137' ' ' GLU . . . -159.24 162.75 36.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.528 HD23 HG23 ' A' ' 138' ' ' VAL . 13.5 tp -126.06 133.34 51.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.243 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.649 HD13 ' HA ' ' A' ' 137' ' ' GLU . 32.0 mm -116.5 147.49 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ASN . . . . . 0.496 HD22 HG13 ' A' ' 138' ' ' VAL . 14.5 p30 -97.34 -171.63 2.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.43 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . 0.0 OUTLIER -41.53 -48.12 3.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.98 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 134' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 136' ' ' GLU . 15.4 p -89.11 157.93 18.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.38 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -66.5 64.57 0.17 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.524 1.14 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 134' ' ' THR . 10.2 tt0 -143.96 138.02 28.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 0.785 . . . . 0.0 110.313 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.649 ' HA ' HD13 ' A' ' 131' ' ' ILE . 6.8 tt0 -81.69 146.09 30.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.528 HG23 HD23 ' A' ' 130' ' ' LEU . 0.9 OUTLIER -116.25 -37.54 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -141.12 158.35 44.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 18.1 ptm -139.82 151.85 46.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 111.029 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.46 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 13.8 ttm-85 -141.5 84.58 1.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.487 ' O ' HD12 ' A' ' 143' ' ' LEU . 62.9 tttt -79.41 152.24 30.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.648 HD22 ' HB3' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -158.03 118.54 3.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.345 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 31' ' ' SER . 2.6 t -127.54 126.89 68.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 145' ' ' ARG . . . . . 0.572 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 25.9 ttt180 -79.91 140.04 36.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 2.3 m -105.76 105.87 16.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.013 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -161.08 157.16 28.67 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.13 . . . . 0.0 111.047 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 153.64 42.02 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.534 1.807 . . . . 0.0 110.997 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 83.0 p -164.82 133.21 3.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.998 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -44.09 161.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 110.002 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 O-C-N 124.496 1.123 . . . . 0.0 111.006 179.995 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 64.4 m-70 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.622 -0.511 . . . . 0.0 109.622 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -103.25 158.35 16.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.71 99.79 1.88 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.127 . . . . 0.0 110.28 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -79.07 148.11 32.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.418 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.2 OUTLIER -156.25 82.16 0.99 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.988 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 157.77 -133.76 3.64 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.47 ' CG ' ' HB3' ' A' ' 58' ' ' SER . 4.4 mtm180 -108.1 -41.12 5.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 0.802 . . . . 0.0 110.321 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.4 t -91.42 144.29 9.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -132.96 143.37 49.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.938 ' HA ' HD23 ' A' ' 54' ' ' LEU . 59.9 t -70.49 88.38 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -40.39 -67.23 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.272 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -159.77 132.39 6.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.319 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.824 HG22 HG13 ' A' ' 52' ' ' VAL . 8.0 t -120.95 112.29 35.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -53.32 118.62 3.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.503 ' O ' HD13 ' A' ' 126' ' ' LEU . 5.0 pt-20 -53.88 -37.43 63.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -62.57 -24.72 67.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.284 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.23 33.04 12.38 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.503 1.127 . . . . 0.0 111.052 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.3 mtmm -77.87 -44.42 27.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 0.747 . . . . 0.0 109.327 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.557 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 48.3 p90 -158.34 160.42 36.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.824 HG13 HG22 ' A' ' 45' ' ' VAL . 46.6 t -121.92 112.97 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.95 121.18 37.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.938 HD23 ' HA ' ' A' ' 42' ' ' VAL . 31.2 mt -117.41 129.47 55.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.422 ' CZ ' ' HE2' ' A' ' 57' ' ' LYS . 0.5 OUTLIER -121.25 150.06 41.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -96.78 142.85 28.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.422 ' HE2' ' CZ ' ' A' ' 55' ' ' ARG . 5.7 mmtt -110.04 -25.31 10.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.47 ' HB3' ' CG ' ' A' ' 39' ' ' ARG . 62.2 p -64.53 169.14 5.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.982 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.464 ' HA ' ' HB1' ' A' ' 91' ' ' ALA . 0.7 OUTLIER -105.31 -11.39 16.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.157 . . . . 0.0 109.261 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 61' ' ' ASP . 7.2 mt-10 -105.22 126.2 51.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.447 ' OD2' ' CE ' ' A' ' 90' ' ' LYS . 0.2 OUTLIER -40.35 127.68 2.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 89' ' ' LEU . 56.1 tp60 -99.48 128.73 45.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.33 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 74.3 p -91.31 124.07 35.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.996 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.588 ' HA ' ' CD1' ' A' ' 67' ' ' TRP . 0.3 OUTLIER -116.96 45.36 1.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.516 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -86.18 58.15 4.75 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.446 1.091 . . . . 0.0 111.056 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.516 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER 154.62 -23.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 0.77 . . . . 0.0 109.332 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.588 ' CD1' ' HA ' ' A' ' 64' ' ' MET . 11.8 m0 -43.88 163.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 131' ' ' ILE . 5.9 mt-30 -151.86 167.04 29.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.797 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 4.0 mt -127.62 122.56 59.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.3 mtt-85 -91.3 121.26 32.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.416 1.073 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.72 ' O ' HD12 ' A' ' 78' ' ' LEU . 17.3 tpt180 -116.85 112.13 20.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 110.28 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.539 ' HB2' HD13 ' A' ' 78' ' ' LEU . 0.4 OUTLIER -130.43 110.26 11.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.292 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.643 ' HB3' HD23 ' A' ' 126' ' ' LEU . 1.8 m-20 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.72 HD12 ' O ' ' A' ' 71' ' ' ARG . 6.9 tp . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.424 ' HE3' ' HG3' ' A' ' 117' ' ' GLN . 1.5 mpp? -107.03 130.45 54.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 16.9 m -110.42 95.2 5.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.369 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -72.0 97.32 1.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 111.011 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -80.67 118.13 21.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.137 . . . . 0.0 110.31 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.797 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 17.7 m-85 -63.61 167.69 6.74 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 18.3 Cg_endo -74.99 148.78 35.81 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.464 1.771 . . . . 0.0 110.982 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.497 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.2 Cg_endo -75.0 4.65 4.55 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.51 1.795 . . . . 0.0 111.03 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.53 50.14 2.04 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -128.72 143.76 51.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.6 m -143.67 112.21 6.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.44 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 62' ' ' GLN . 47.9 tp -87.52 93.61 9.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.447 ' CE ' ' OD2' ' A' ' 61' ' ' ASP . 12.7 mtpt -47.34 168.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.464 ' HB1' ' HA ' ' A' ' 59' ' ' ASN . . . -76.6 135.59 39.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 70.65 7.5 61.45 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.77 173.36 10.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 0.753 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.1 p -145.21 155.9 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.256 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 110' ' ' THR . 10.3 p -144.31 147.12 19.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 112' ' ' LEU . 21.6 m -122.12 122.98 40.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.386 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.545 ' N ' HD12 ' A' ' 97' ' ' ILE . 4.0 mp -108.25 84.72 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.347 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.557 ' CE3' ' HB3' ' A' ' 51' ' ' PHE . 69.7 m95 -69.24 164.37 22.89 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.683 ' HB1' ' HA ' ' A' ' 119' ' ' THR . . . -105.66 145.2 31.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.257 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 99' ' ' ALA . 1.8 t -38.4 -55.03 1.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.013 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -95.55 75.79 0.85 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.506 1.129 . . . . 0.0 110.951 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 103' ' ' GLY . . . -156.81 25.79 0.33 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 0.77 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 102' ' ' ALA . . . 36.58 53.28 1.4 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.463 1.102 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.448 ' CB ' ' HB3' ' A' ' 98' ' ' TRP . . . -101.35 -168.0 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.775 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -149.49 107.45 3.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.409 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.563 ' CE1' HD23 ' A' ' 112' ' ' LEU . 7.1 t60 -48.74 107.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.598 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.472 ' CB ' ' HB2' ' A' ' 111' ' ' ASP . 0.4 OUTLIER -139.31 65.46 34.88 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.036 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.531 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.1 Cg_endo -75.04 168.87 23.85 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.525 1.803 . . . . 0.0 110.977 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.531 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.4 Cg_endo -74.95 -14.82 22.76 Favored 'Cis proline' 0 C--N 1.359 1.125 0 C-N-CA 121.061 -2.475 . . . . 0.0 111.003 -0.017 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.576 ' O ' HG23 ' A' ' 95' ' ' VAL . 68.0 p -55.68 -81.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 110.415 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.48 ' N ' ' OG1' ' A' ' 110' ' ' THR . 5.4 m-20 -79.48 149.14 31.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.563 HD23 ' CE1' ' A' ' 106' ' ' HIS . 24.7 mt -140.56 163.55 32.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.466 HG23 ' HA ' ' A' ' 106' ' ' HIS . 53.4 t -132.34 112.89 20.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.51 ' NE1' ' HB3' ' A' ' 116' ' ' ALA . 6.8 t90 -75.32 97.19 3.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 107.982 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.83 -46.34 18.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.51 ' HB3' ' NE1' ' A' ' 114' ' ' TRP . . . -39.93 -56.07 1.89 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.504 ' HB2' ' CE2' ' A' ' 114' ' ' TRP . 1.2 mm100 -90.14 176.17 6.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.342 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.717 HD22 HG22 ' A' ' 119' ' ' THR . 0.3 OUTLIER -109.81 -22.68 11.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.3 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.717 HG22 HD22 ' A' ' 118' ' ' ASN . 14.2 t -174.9 143.85 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.406 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 70.3 m95 -54.13 -46.06 72.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 107.985 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 132.07 142.2 4.88 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 2.9 m -111.4 -176.39 2.93 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 126.33 158.63 9.96 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.477 1.111 . . . . 0.0 111.038 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 4.6 p -59.45 -53.04 62.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 0.743 . . . . 0.0 109.993 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.5 m -95.02 125.07 39.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.949 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.643 HD23 ' HB3' ' A' ' 73' ' ' ASN . 0.3 OUTLIER -134.89 151.21 50.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.409 ' CB ' ' O ' ' A' ' 72' ' ' GLN . 7.1 ttt-85 -139.12 121.04 15.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.32 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.425 HG21 HG21 ' A' ' 45' ' ' VAL . 24.1 m -131.62 114.31 14.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.405 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -122.33 162.82 20.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.473 HD23 HG23 ' A' ' 138' ' ' VAL . 14.3 tp -115.85 127.83 55.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.526 HD13 ' HA ' ' A' ' 137' ' ' GLU . 26.5 mm -114.83 116.48 52.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . 0.579 HD22 HG13 ' A' ' 138' ' ' VAL . 16.0 p30 -66.08 -174.15 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 132' ' ' ASN . 0.0 OUTLIER -37.48 -61.67 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.031 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 136' ' ' GLU . 70.7 p -75.07 161.3 29.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.419 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -68.49 58.64 0.46 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 134' ' ' THR . 18.7 tt0 -136.41 136.95 39.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 0.746 . . . . 0.0 110.271 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.526 ' HA ' HD13 ' A' ' 131' ' ' ILE . 4.6 tt0 -84.77 139.44 31.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.579 HG13 HD22 ' A' ' 132' ' ' ASN . 1.6 m -109.15 -40.29 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -140.01 146.45 39.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.26 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 19.8 ptm -128.78 152.18 48.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.417 ' HD3' ' CG1' ' A' ' 42' ' ' VAL . 0.8 OUTLIER -146.97 95.26 2.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . 0.568 ' O ' HD12 ' A' ' 143' ' ' LEU . 32.5 tttt -98.8 153.17 18.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.568 HD12 ' O ' ' A' ' 142' ' ' LYS . 0.3 OUTLIER -148.06 123.79 10.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 11.7 t -125.28 123.76 65.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 27.3 ttt85 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.275 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.503 ' HB2' ' HG3' ' A' ' 141' ' ' ARG . . . -97.62 161.69 13.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -164.12 115.92 1.34 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -92.91 146.78 23.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.394 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 138' ' ' VAL . 4.8 m -156.14 81.91 0.99 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.003 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.25 -138.0 5.43 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.419 ' CB ' ' HB2' ' A' ' 58' ' ' SER . 32.5 mtm180 -102.25 -42.44 6.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.762 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 95.6 t -91.66 152.39 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 43' ' ' GLU . . . -139.01 132.98 31.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.62 ' CG1' HG23 ' A' ' 45' ' ' VAL . 81.1 t -58.72 86.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -38.68 -59.88 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.308 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -168.2 128.02 1.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.637 HG22 HG13 ' A' ' 52' ' ' VAL . 9.0 t -118.0 111.81 35.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -55.64 113.08 1.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.74 ' HB3' HD22 ' A' ' 143' ' ' LEU . 4.5 pt-20 -54.63 -34.23 61.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.438 1.086 . . . . 0.0 110.281 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.428 ' HA ' ' SG ' ' A' ' 122' ' ' CYS . 2.8 mt-10 -57.48 -26.29 61.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.314 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.431 ' CA ' ' HB2' ' A' ' 120' ' ' TRP . . . 86.85 45.07 5.55 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 99' ' ' ALA . 7.0 mtmm -98.18 -51.34 4.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.556 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 45.3 p90 -150.8 155.48 39.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.969 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.637 HG13 HG22 ' A' ' 45' ' ' VAL . 3.8 t -118.12 112.95 40.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.443 ' HG3' HG23 ' A' ' 96' ' ' THR . 0.1 OUTLIER -95.13 127.92 41.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.272 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' A' ' 42' ' ' VAL . 12.0 mt -124.76 127.08 46.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.8 ttp180 -120.35 148.01 44.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 58' ' ' SER . 40.2 t-20 -93.77 139.71 30.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.426 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 9.3 mmtt -108.56 -35.09 6.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.467 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 2.3 t -62.42 172.29 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.977 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.428 ' HA ' ' HB1' ' A' ' 91' ' ' ALA . 0.7 OUTLIER -102.46 -17.58 15.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.264 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -92.36 123.16 35.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -46.32 125.31 6.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.495 ' NE2' ' H ' ' A' ' 63' ' ' SER . 24.4 tp60 -91.07 128.28 36.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.495 ' H ' ' NE2' ' A' ' 62' ' ' GLN . 10.3 m -93.58 117.65 30.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.99 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.547 ' HA ' ' CD1' ' A' ' 67' ' ' TRP . 6.4 mtp -109.09 42.79 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.543 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -84.85 56.15 5.0 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.543 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.5 OUTLIER 153.11 -22.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 0.0 109.279 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.547 ' CD1' ' HA ' ' A' ' 64' ' ' MET . 12.1 m0 -45.08 167.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 107.987 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -149.33 169.82 19.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.268 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 1.034 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 6.1 mt -129.76 116.63 38.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.549 ' CZ ' HD21 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -92.89 115.56 28.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.249 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -113.75 102.56 10.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.756 ' HB2' HD13 ' A' ' 78' ' ' LEU . 3.3 tp-100 -105.35 131.99 52.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.267 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.434 ' N ' ' OE1' ' A' ' 72' ' ' GLN . 82.6 m-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.756 HD13 ' HB2' ' A' ' 72' ' ' GLN . 18.7 tp . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -115.35 152.45 32.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 88.5 m -138.31 89.56 2.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.443 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.621 ' CD1' HD12 ' A' ' 69' ' ' ILE . 38.0 t80 -72.88 103.32 3.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.54 117.82 23.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.143 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 1.034 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 18.7 m-85 -63.14 167.53 6.21 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 18.3 Cg_endo -75.04 150.62 38.25 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.523 1.801 . . . . 0.0 110.942 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.506 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.3 Cg_endo -75.02 3.16 5.88 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.497 1.788 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.406 ' HD2' ' N ' ' A' ' 86' ' ' LYS . 0.2 OUTLIER -123.67 45.74 2.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.582 1.176 . . . . 0.0 109.259 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.56 ' HZ ' HG21 ' A' ' 95' ' ' VAL . 11.3 t80 -128.13 141.37 51.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 111.031 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.1 m -147.04 112.53 5.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.383 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 62' ' ' GLN . 48.0 tp -85.84 97.58 10.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.3 mtpt -50.58 168.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.467 ' HB1' ' O ' ' A' ' 58' ' ' SER . . . -79.85 134.81 36.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 76.62 2.81 76.91 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 91' ' ' ALA . 0.9 OUTLIER -90.4 176.01 6.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 110.284 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.5 p -146.52 157.5 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.249 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 110' ' ' THR . 7.7 p -143.12 146.89 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 109.36 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 112' ' ' LEU . 3.0 m -119.73 131.31 55.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.381 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.584 HD12 ' O ' ' A' ' 52' ' ' VAL . 4.2 mp -118.24 80.37 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.556 ' CE3' ' HB3' ' A' ' 51' ' ' PHE . 43.7 m95 -65.44 165.05 12.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 108.056 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.641 ' HB1' ' HA ' ' A' ' 119' ' ' THR . . . -111.42 138.76 47.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 99' ' ' ALA . 3.5 t -38.11 -45.01 0.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.965 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -45.36 -63.76 2.57 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.54 162.23 2.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 0.761 . . . . 0.0 109.338 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -97.48 48.82 1.5 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.474 1.109 . . . . 0.0 111.018 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.495 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -76.0 -175.74 3.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -134.53 120.55 19.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.381 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.452 ' CE1' HD23 ' A' ' 112' ' ' LEU . 15.6 t60 -58.16 111.29 1.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.627 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.473 ' CB ' ' HB2' ' A' ' 111' ' ' ASP . 0.5 OUTLIER -143.14 69.3 18.06 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.011 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.534 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.2 Cg_endo -75.0 169.02 23.55 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.486 1.782 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.534 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -75.03 -12.81 23.98 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.05 -2.479 . . . . 0.0 111.03 0.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.729 ' O ' HG23 ' A' ' 95' ' ' VAL . 43.3 p -58.81 -88.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.389 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.544 ' N ' ' OG1' ' A' ' 110' ' ' THR . 77.6 m-20 -67.29 148.06 52.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.472 ' CD2' ' HB3' ' A' ' 108' ' ' PRO . 36.3 mt -145.29 151.75 38.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 53.8 t -124.74 115.33 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.501 ' CD2' ' HB2' ' A' ' 117' ' ' GLN . 7.0 t90 -77.0 95.16 4.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 108.038 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -79.43 -46.09 18.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.348 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -40.3 -43.48 1.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.501 ' HB2' ' CD2' ' A' ' 114' ' ' TRP . 1.3 mm100 -101.69 176.33 5.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.29 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.564 HD22 HG22 ' A' ' 119' ' ' THR . 0.1 OUTLIER -114.56 -8.87 12.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.641 ' HA ' ' HB1' ' A' ' 99' ' ' ALA . 1.3 t 179.66 160.03 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.365 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.431 ' HB2' ' CA ' ' A' ' 49' ' ' GLY . 51.0 m95 -77.47 -32.88 54.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 108.025 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 118.56 132.91 4.65 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.592 ' C ' HD21 ' A' ' 126' ' ' LEU . 1.1 t -106.16 -153.22 0.49 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 110.48 176.29 20.71 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.544 1.152 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.64 -26.53 25.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.764 . . . . 0.0 109.974 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -113.53 118.07 33.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.991 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.592 HD21 ' C ' ' A' ' 122' ' ' CYS . 0.5 OUTLIER -135.03 154.05 51.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -158.05 104.94 1.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.29 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.403 HG21 HG21 ' A' ' 45' ' ' VAL . 5.8 m -98.7 154.48 17.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 110.375 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -151.07 154.22 36.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.105 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.498 HD23 HG23 ' A' ' 138' ' ' VAL . 14.3 tp -119.8 130.32 54.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.767 HD13 ' HA ' ' A' ' 137' ' ' GLU . 18.2 mm -117.02 146.65 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 136' ' ' GLU . 7.4 p30 -92.45 -172.5 3.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.455 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . 28.0 t -44.88 -38.19 4.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.013 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 136' ' ' GLU . 3.6 p -94.59 158.36 15.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.368 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -67.58 63.32 0.29 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.518 1.136 . . . . 0.0 111.04 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . 0.463 ' O ' HG23 ' A' ' 131' ' ' ILE . 14.4 tt0 -145.35 134.86 23.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.767 ' HA ' HD13 ' A' ' 131' ' ' ILE . 7.0 tt0 -80.81 146.83 30.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.346 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.498 HG23 HD23 ' A' ' 130' ' ' LEU . 1.2 m -114.58 -35.67 2.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -149.51 161.59 41.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 4.6 ppp? -150.18 155.74 40.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 111.017 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.503 ' HG3' ' HB2' ' A' ' 34' ' ' ALA . 4.2 ttm-85 -138.27 85.22 2.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 36.0 tttt -74.74 147.78 41.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.74 HD22 ' HB3' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -149.56 104.06 3.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 3.7 t -113.87 122.5 68.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 61.9 ttt-85 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.314 179.985 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 55.5 m-70 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -93.51 162.26 14.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.06 105.9 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.462 HG21 ' HB2' ' A' ' 41' ' ' ALA . 0.9 OUTLIER -87.51 148.61 24.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.162 . . . . 0.0 110.383 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 138' ' ' VAL . 7.7 m -155.03 82.66 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.006 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 158.4 -138.21 5.63 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.531 1.144 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.9 mtm180 -102.54 -35.9 8.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 0.742 . . . . 0.0 110.291 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 87.3 t -94.92 156.68 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.462 ' HB2' HG21 ' A' ' 36' ' ' THR . . . -144.94 133.56 22.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.098 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.518 ' CG1' HG23 ' A' ' 45' ' ' VAL . 58.0 t -61.1 87.86 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -38.54 -58.2 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -172.39 135.81 0.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.885 HG22 HG13 ' A' ' 52' ' ' VAL . 11.5 t -122.04 114.45 42.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.469 ' OD2' ' CE2' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -53.78 113.44 1.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.686 ' HB3' HD22 ' A' ' 143' ' ' LEU . 5.1 pt-20 -56.08 -37.06 68.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 110.268 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -56.34 -25.56 49.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 84.97 63.71 1.58 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.472 1.108 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.5 mtmt -118.99 -52.08 2.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.582 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 37.2 p90 -144.94 159.75 42.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 111.03 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.885 HG13 HG22 ' A' ' 45' ' ' VAL . 73.8 t -120.79 111.68 32.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.408 ' HG3' HG23 ' A' ' 96' ' ' THR . 0.0 OUTLIER -93.05 127.96 38.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 110.262 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.585 HD11 HD13 ' A' ' 69' ' ' ILE . 8.0 mt -129.62 127.4 40.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.1 ttp180 -123.19 147.38 46.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -89.44 145.56 25.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.1 mmpt? -109.76 -28.32 8.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.9 t -63.02 174.62 1.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 110.013 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.04 -12.27 15.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -103.65 129.2 50.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.359 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.59 126.3 6.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -96.81 127.86 43.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.313 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.0 t -90.6 123.63 34.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.419 1.074 . . . . 0.0 109.979 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 20.0 mtp -108.38 36.61 2.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -79.91 54.94 4.49 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER 156.77 -27.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 0.756 . . . . 0.0 109.309 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.506 ' CG ' ' HA ' ' A' ' 132' ' ' ASN . 11.6 m0 -46.81 153.79 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.425 ' HG3' ' C ' ' A' ' 67' ' ' TRP . 0.0 OUTLIER -136.17 173.73 11.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 1.123 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 3.1 mt -136.69 115.52 15.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.418 ' HB2' ' HB3' ' A' ' 129' ' ' ALA . 47.1 mtt-85 -91.52 134.96 34.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -134.78 116.37 14.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.947 ' HB2' HD13 ' A' ' 78' ' ' LEU . 15.9 tm0? -137.16 110.18 7.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.329 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.731 ' HB3' HD23 ' A' ' 126' ' ' LEU . 32.9 m-20 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.947 HD13 ' HB2' ' A' ' 72' ' ' GLN . 11.6 tp . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 49.2 mtm -108.7 155.0 21.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 66.2 m -140.37 101.35 4.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.4 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -82.77 102.52 11.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.956 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 -86.1 115.98 24.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 110.302 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 1.123 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 29.0 m-85 -61.74 166.02 6.67 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.512 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.2 Cg_endo -75.06 145.47 31.29 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.531 1.806 . . . . 0.0 110.952 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.459 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.4 Cg_endo -74.97 24.23 0.39 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.474 1.776 . . . . 0.0 111.034 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.512 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.0 OUTLIER -144.25 41.99 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -125.31 137.71 54.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.1 m -135.78 113.39 10.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 110.384 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.407 ' O ' ' O ' ' A' ' 90' ' ' LYS . 36.2 tp -89.0 95.91 10.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 89' ' ' LEU . 0.7 OUTLIER -44.29 166.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.275 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.452 ' O ' ' NE2' ' A' ' 93' ' ' GLN . . . -78.41 136.36 37.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.96 7.72 71.44 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.55 1.156 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.452 ' NE2' ' O ' ' A' ' 91' ' ' ALA . 1.0 OUTLIER -93.16 172.59 8.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.772 . . . . 0.0 110.36 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.5 p -141.44 158.15 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 109' ' ' PRO . 2.4 p -143.45 131.64 19.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 112' ' ' LEU . 6.7 m -107.78 123.29 48.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 110.371 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.572 ' N ' HD12 ' A' ' 97' ' ' ILE . 4.1 mp -107.36 84.08 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.582 ' CE3' ' HB3' ' A' ' 51' ' ' PHE . 53.6 m95 -67.98 164.14 20.64 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.418 ' O ' ' HB3' ' A' ' 102' ' ' ALA . . . -112.14 141.35 45.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 99' ' ' ALA . 2.4 t -37.45 -51.3 1.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.981 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 118' ' ' ASN . . . -81.14 55.12 4.8 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.535 1.147 . . . . 0.0 111.022 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 99' ' ' ALA . . . -135.55 -46.71 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 100.61 24.61 9.21 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.559 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -80.74 -170.01 2.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 0.731 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.1 m -134.29 121.78 21.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 110.396 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.473 ' NE2' ' HG3' ' A' ' 108' ' ' PRO . 20.6 t60 -58.11 93.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.659 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 111' ' ' ASP . 0.5 OUTLIER -130.32 66.54 78.39 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.028 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.568 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.2 Cg_endo -75.1 169.86 21.66 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.486 1.782 . . . . 0.0 110.982 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.568 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.2 Cg_endo -75.01 -12.91 23.92 Favored 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 121.02 -2.492 . . . . 0.0 110.99 0.032 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 107' ' ' SER . 37.5 p -56.86 -83.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.423 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 107' ' ' SER . 0.8 OUTLIER -81.84 144.11 31.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.53 HD21 ' HB3' ' A' ' 108' ' ' PRO . 15.4 mt -139.69 162.31 35.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 65.2 t -132.67 122.31 46.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.504 ' CD2' ' HB2' ' A' ' 117' ' ' GLN . 7.0 t90 -86.3 97.59 10.48 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -80.05 -44.82 19.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.428 ' HB3' ' NE1' ' A' ' 114' ' ' TRP . . . -42.25 -40.73 2.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.504 ' HB2' ' CD2' ' A' ' 114' ' ' TRP . 1.0 OUTLIER -107.37 175.65 5.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.263 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 101' ' ' GLY . 3.6 p30 -114.88 -24.44 8.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.431 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 14.1 t -161.22 148.77 15.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.138 . . . . 0.0 110.391 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.47 ' CE2' ' CG2' ' A' ' 52' ' ' VAL . 46.7 m95 -67.9 -41.62 82.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 107.962 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 134.62 137.73 3.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.477 1.11 . . . . 0.0 111.035 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 7.1 p -117.43 -170.85 1.93 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.51 ' O ' HD21 ' A' ' 126' ' ' LEU . . . 118.37 151.95 9.21 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.472 1.108 . . . . 0.0 110.97 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 74.5 p -53.6 -45.52 70.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 0.78 . . . . 0.0 110.008 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 59.7 p -93.9 120.8 34.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.963 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.731 HD23 ' HB3' ' A' ' 73' ' ' ASN . 0.4 OUTLIER -136.73 151.37 49.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 16.0 ttp85 -159.5 114.83 2.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.338 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 8.6 m -111.19 158.68 18.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.398 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.418 ' HB3' ' HB2' ' A' ' 70' ' ' ARG . . . -151.2 156.82 41.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.423 1.077 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 137' ' ' GLU . 13.2 tp -122.58 130.39 52.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.595 HD13 ' HA ' ' A' ' 137' ' ' GLU . 30.5 mm -110.48 146.89 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . 0.52 HD22 HG13 ' A' ' 138' ' ' VAL . 11.7 p30 -100.34 -166.43 1.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.454 ' OG ' ' N ' ' A' ' 134' ' ' THR . 6.8 p -36.42 -63.61 0.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.988 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.507 HG22 ' OD1' ' A' ' 132' ' ' ASN . 7.4 t -81.54 162.21 23.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.379 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -67.39 64.84 0.26 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 110.967 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -140.09 138.86 35.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 0.797 . . . . 0.0 110.307 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.595 ' HA ' HD13 ' A' ' 131' ' ' ILE . 0.5 OUTLIER -83.11 138.58 33.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 110.366 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.52 HG13 HD22 ' A' ' 132' ' ' ASN . 2.2 m -109.17 -31.34 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -146.81 158.47 43.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 22.0 ptm -143.55 147.73 34.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 111.026 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 21.7 ttm-85 -131.6 96.64 4.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.362 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -89.72 147.16 24.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.686 HD22 ' HB3' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -152.64 117.91 5.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 7.1 t -126.45 120.22 55.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 62.7 ttt180 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 110.263 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.651 ' CG ' ' O ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.816 ' HB2' ' HG3' ' A' ' 141' ' ' ARG . . . -104.26 161.53 13.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.64 109.75 2.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.413 HG21 ' HB2' ' A' ' 41' ' ' ALA . 0.9 OUTLIER -90.5 145.77 24.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.428 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.2 OUTLIER -156.22 81.43 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.976 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 163.09 -136.98 4.55 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.433 1.083 . . . . 0.0 111.035 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.449 ' CB ' ' HB3' ' A' ' 58' ' ' SER . 8.8 mtm180 -102.81 -36.95 8.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 0.767 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.536 HG12 ' N ' ' A' ' 41' ' ' ALA . 81.4 t -94.87 167.4 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 109.344 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.536 ' N ' HG12 ' A' ' 40' ' ' VAL . . . -154.38 132.35 11.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.578 ' CG1' HG23 ' A' ' 45' ' ' VAL . 58.2 t -59.46 86.94 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 41' ' ' ALA . 4.3 tm-20 -39.81 -59.87 1.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.327 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -169.27 129.62 1.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.323 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.816 HG22 HG13 ' A' ' 52' ' ' VAL . 14.4 t -118.16 111.31 33.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -51.51 111.92 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.333 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.942 ' HB3' HD22 ' A' ' 143' ' ' LEU . 4.5 pt-20 -53.43 -37.01 62.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -54.56 -30.07 53.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.336 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.39 40.32 5.76 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.459 1.099 . . . . 0.0 111.012 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -94.58 -50.13 5.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 0.784 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.571 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 25.2 p90 -149.56 158.76 44.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.816 HG13 HG22 ' A' ' 45' ' ' VAL . 10.8 t -119.87 119.75 61.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.553 ' HG3' HG23 ' A' ' 96' ' ' THR . 0.0 OUTLIER -101.73 128.81 47.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.608 HD11 HD13 ' A' ' 69' ' ' ILE . 13.1 mt -128.45 127.98 43.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.8 ttp180 -121.32 148.87 43.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.318 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -92.33 140.18 29.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.36 -34.13 8.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.449 ' HB3' ' CB ' ' A' ' 39' ' ' ARG . 2.3 p -61.89 166.53 4.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.985 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -102.39 -3.5 26.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -108.19 128.9 55.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -43.84 127.31 5.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.284 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 50.8 tp60 -101.69 117.65 35.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.1 t -79.88 125.17 29.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 110.001 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 52.8 mtp -115.54 38.84 3.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 111.041 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.544 ' CA ' ' HA ' ' A' ' 85' ' ' PRO . . . -82.13 54.29 4.84 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.464 1.103 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.3 OUTLIER 159.33 -28.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 0.785 . . . . 0.0 109.272 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 12.1 m0 -42.63 154.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 107.966 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.413 ' O ' HD12 ' A' ' 130' ' ' LEU . 1.6 mp0 -138.4 172.42 12.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 1.142 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 2.0 mt -134.75 120.82 32.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 109.315 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 40.6 mtt-85 -95.19 135.44 36.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.53 ' O ' HD12 ' A' ' 78' ' ' LEU . 0.3 OUTLIER -138.6 122.47 17.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 110.283 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.591 ' HB2' HD13 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -135.14 110.64 9.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.366 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 73' ' ' ASN . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.591 HD13 ' HB2' ' A' ' 72' ' ' GLN . 11.9 tp . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -108.23 134.62 50.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 92.0 m -121.92 97.64 5.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 110.385 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -78.31 105.09 9.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.39 113.04 24.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 1.142 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 33.8 m-85 -58.08 165.36 2.71 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.962 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.456 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.3 Cg_endo -74.96 147.05 33.58 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.521 1.801 . . . . 0.0 111.03 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.544 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.1 Cg_endo -75.03 18.64 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.507 1.793 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.456 ' H ' ' C ' ' A' ' 84' ' ' PRO . 1.0 OUTLIER -135.64 37.89 2.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -128.75 139.48 52.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.989 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.75 116.56 10.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.422 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 32.7 tp -86.23 98.11 10.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.289 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -47.4 171.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.45 ' O ' ' NE2' ' A' ' 93' ' ' GLN . . . -82.31 138.43 34.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 71.24 4.13 55.24 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.507 1.129 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 91' ' ' ALA . 1.1 mp0 -90.64 171.32 9.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 0.797 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.4 p -141.62 155.32 20.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 110' ' ' THR . 3.6 p -142.16 141.12 29.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.553 HG23 ' HG3' ' A' ' 53' ' ' ARG . 3.4 m -117.61 130.23 56.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 110.41 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.441 ' N ' HD12 ' A' ' 97' ' ' ILE . 5.4 mp -115.33 87.15 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.619 ' CB ' ' CB ' ' A' ' 104' ' ' ALA . 41.8 m95 -68.62 162.85 25.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 107.974 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 100' ' ' SER . . . -106.97 140.51 39.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 99' ' ' ALA . 6.0 t -38.69 -43.36 0.89 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.09 . . . . 0.0 110.004 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -49.1 -64.41 3.33 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.54 1.15 . . . . 0.0 111.007 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.29 162.56 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -94.81 43.99 2.25 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.619 ' CB ' ' CB ' ' A' ' 98' ' ' TRP . . . -72.95 -170.29 0.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 0.766 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.1 m -145.46 125.08 13.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.15 . . . . 0.0 110.395 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.48 ' NE2' ' HG3' ' A' ' 108' ' ' PRO . 20.2 t60 -60.24 95.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.596 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -131.55 65.63 76.44 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 110.02 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.566 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.2 Cg_endo -75.01 170.0 21.39 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.572 1.827 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.566 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.2 Cg_endo -75.0 -13.65 23.5 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.969 -2.513 . . . . 0.0 110.996 -0.003 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.472 ' O ' HG23 ' A' ' 95' ' ' VAL . 36.5 p -55.89 -84.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.41 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -80.32 146.69 31.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.509 HD21 ' HB3' ' A' ' 108' ' ' PRO . 16.3 mt -141.25 160.09 40.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 64.7 t -129.86 124.59 59.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.523 ' NE1' ' HB3' ' A' ' 116' ' ' ALA . 7.2 t90 -87.41 99.42 11.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 107.985 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.48 -43.79 18.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.523 ' HB3' ' NE1' ' A' ' 114' ' ' TRP . . . -43.46 -41.97 4.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.516 ' HB2' ' CD2' ' A' ' 114' ' ' TRP . 1.6 mm-40 -104.39 170.48 7.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.52 HD22 HG22 ' A' ' 119' ' ' THR . 0.2 OUTLIER -113.99 -12.54 12.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.52 HG22 HD22 ' A' ' 118' ' ' ASN . 7.8 t -173.3 148.13 1.6 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.38 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 58.8 m95 -70.11 -35.45 74.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 107.98 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . 0.423 ' C ' ' ND2' ' A' ' 73' ' ' ASN . . . 127.33 137.33 4.48 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 1.6 p -119.05 -173.47 2.5 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 119.87 170.22 14.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.483 1.115 . . . . 0.0 111.01 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 90.1 p -66.28 -56.83 9.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 110.023 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.675 ' HA ' HG13 ' A' ' 144' ' ' VAL . 24.0 m -84.97 122.5 29.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.031 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.444 HD22 HD22 ' A' ' 73' ' ' ASN . 0.5 OUTLIER -139.75 154.28 47.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -160.19 128.56 4.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.411 ' OG1' ' NH1' ' A' ' 71' ' ' ARG . 13.6 m -123.38 155.91 36.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.393 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -150.63 158.23 43.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' ' 68' ' ' GLN . 13.7 tp -123.77 130.73 53.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.57 HD13 ' HA ' ' A' ' 137' ' ' GLU . 29.8 mm -110.99 146.97 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 133' ' ' SER . 7.0 p30 -101.15 -171.19 1.95 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.253 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 132' ' ' ASN . 4.1 p -36.29 -55.43 0.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.001 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 136' ' ' GLU . 60.9 p -83.02 159.42 22.18 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.548 1.155 . . . . 0.0 110.386 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -68.55 59.4 0.46 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . 0.499 ' O ' HG23 ' A' ' 131' ' ' ILE . 13.6 tt0 -138.1 146.94 43.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 110.32 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.57 ' HA ' HD13 ' A' ' 131' ' ' ILE . 2.6 tm-20 -88.24 144.11 26.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 37' ' ' SER . 2.8 m -111.74 -35.04 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -147.0 158.96 44.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -142.12 153.53 44.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.816 ' HG3' ' HB2' ' A' ' 34' ' ' ALA . 10.1 ttt85 -140.26 95.7 2.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . 0.636 ' HB3' ' CD2' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -84.96 148.82 26.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.436 1.085 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.942 HD22 ' HB3' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -156.38 98.99 1.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 109.28 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.675 HG13 ' HA ' ' A' ' 125' ' ' SER . 33.8 t -122.71 130.08 74.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.973 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.403 ' HB2' ' HG3' ' A' ' 141' ' ' ARG . . . -90.67 160.27 15.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 109.345 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.92 103.07 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.269 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -87.51 147.27 25.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.42 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 138' ' ' VAL . 30.1 m -156.31 81.89 0.98 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 109.998 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 161.14 -138.31 5.39 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.452 1.095 . . . . 0.0 110.961 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.411 ' CB ' ' HB3' ' A' ' 58' ' ' SER . 8.2 mtm180 -103.7 -36.23 7.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 0.74 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 63.5 t -95.1 157.02 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -144.71 137.43 26.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.538 ' CG1' HG23 ' A' ' 45' ' ' VAL . 60.9 t -65.73 86.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 42' ' ' VAL . 7.0 tm-20 -37.82 -65.05 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -162.47 133.21 4.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.769 HG22 HG13 ' A' ' 52' ' ' VAL . 7.9 t -122.16 116.59 49.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -59.06 112.64 1.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.822 ' HB3' HD22 ' A' ' 143' ' ' LEU . 6.5 pt-20 -59.22 -29.07 67.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -63.44 -22.57 66.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 110.301 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.57 69.21 1.4 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.09 -51.73 1.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 0.789 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.57 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 35.4 p90 -148.37 155.67 41.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.769 HG13 HG22 ' A' ' 45' ' ' VAL . 37.6 t -119.82 116.18 49.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.507 ' CG ' HG23 ' A' ' 96' ' ' THR . 0.0 OUTLIER -98.5 122.17 41.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.29 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.587 HD11 HD13 ' A' ' 69' ' ' ILE . 11.0 mt -121.08 128.76 52.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -122.47 148.75 44.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.296 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 39.6 t-20 -92.68 150.23 20.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.23 -34.55 5.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.526 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 5.6 p -62.7 167.55 4.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 110.01 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.536 ' HA ' ' HB1' ' A' ' 91' ' ' ALA . 1.0 OUTLIER -101.35 -11.61 19.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -96.57 119.28 34.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 110.306 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -40.89 123.77 2.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.5 ' NE2' ' H ' ' A' ' 63' ' ' SER . 57.1 tp60 -90.41 138.52 31.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.261 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.5 ' H ' ' NE2' ' A' ' 62' ' ' GLN . 15.9 m -103.57 114.81 29.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.996 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.52 ' HA ' ' CD1' ' A' ' 67' ' ' TRP . 9.1 mtp -105.96 45.11 0.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.528 ' O ' ' ND2' ' A' ' 66' ' ' ASN . . . -87.17 54.7 4.54 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.512 1.133 . . . . 0.0 111.039 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.528 ' ND2' ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER 154.9 -23.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 0.779 . . . . 0.0 109.289 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.52 ' CD1' ' HA ' ' A' ' 64' ' ' MET . 11.3 m0 -45.66 166.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 108.032 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -149.3 168.53 23.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.911 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 2.2 mt -130.65 114.86 29.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 129' ' ' ALA . 55.6 mtt-85 -90.84 128.63 36.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.25 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.413 ' HB3' ' CG ' ' A' ' 79' ' ' MET . 0.1 OUTLIER -133.9 109.39 9.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.48 ' HB2' HD13 ' A' ' 78' ' ' LEU . 3.2 tm0? -117.47 129.68 55.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.236 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.4 ' ND2' ' C ' ' A' ' 121' ' ' GLY . 1.2 m-20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.48 HD13 ' HB2' ' A' ' 72' ' ' GLN . 15.7 tp . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.429 ' N ' HD12 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -119.09 146.69 44.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.581 1.176 . . . . 0.0 110.982 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 50.9 m -132.78 99.68 4.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.369 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.42 ' CD1' HD12 ' A' ' 69' ' ' ILE . 55.2 t80 -77.57 99.13 5.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 111.036 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -83.97 121.39 27.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.911 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 28.9 m-85 -68.67 164.83 41.86 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.491 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.2 Cg_endo -75.07 145.1 30.81 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.429 1.752 . . . . 0.0 110.947 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.483 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.4 Cg_endo -74.98 34.69 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.532 1.806 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.491 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.0 OUTLIER -152.19 26.8 0.61 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -114.22 138.71 50.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.32 116.92 11.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.395 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 56.3 tp -89.61 98.84 12.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.563 1.164 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.48 167.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.352 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.536 ' HB1' ' HA ' ' A' ' 59' ' ' ASN . . . -76.91 136.93 38.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.23 6.41 64.96 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.2 173.38 8.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 0.756 . . . . 0.0 110.286 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 11.9 p -143.31 157.88 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 1.1 p -145.07 140.42 22.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.507 HG23 ' CG ' ' A' ' 53' ' ' ARG . 1.4 m -113.75 132.14 55.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.463 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.55 HD12 ' O ' ' A' ' 52' ' ' VAL . 4.3 mp -117.05 83.6 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.634 ' CG ' ' CB ' ' A' ' 104' ' ' ALA . 42.4 m95 -70.36 164.31 24.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 108.034 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -109.31 136.93 47.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.5 t -39.62 -31.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.028 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 118' ' ' ASN . . . -97.1 59.3 1.16 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.466 1.103 . . . . 0.0 111.021 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -143.52 -47.39 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.788 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 109.96 9.54 24.2 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.634 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -65.21 -170.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 0.792 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -137.64 122.59 18.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.394 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.468 ' NE2' ' HG3' ' A' ' 108' ' ' PRO . 19.0 t60 -57.58 93.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.585 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 111' ' ' ASP . 0.5 OUTLIER -128.78 68.68 79.3 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 110.014 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.564 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.3 Cg_endo -74.94 169.66 22.12 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.564 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -75.02 -11.01 24.33 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 121.039 -2.484 . . . . 0.0 110.995 0.007 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 41.8 p -60.35 -90.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.396 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 107' ' ' SER . 18.9 m-20 -72.64 142.59 48.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.563 HD21 ' HB3' ' A' ' 108' ' ' PRO . 15.2 mt -138.88 165.4 27.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 72.6 t -135.04 123.56 40.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.251 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.777 ' HE1' ' HB3' ' A' ' 116' ' ' ALA . 5.9 t90 -85.87 101.41 12.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 107.991 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.83 -39.77 29.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.777 ' HB3' ' HE1' ' A' ' 114' ' ' TRP . . . -52.24 -32.75 38.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.158 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.428 ' HB2' ' CD2' ' A' ' 114' ' ' TRP . 29.2 mm100 -119.62 169.7 9.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.422 ' O ' ' N ' ' A' ' 101' ' ' GLY . 0.4 OUTLIER -114.1 -26.71 7.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 10.0 t -152.45 146.15 25.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.16 . . . . 0.0 110.425 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.573 ' CE2' ' CG2' ' A' ' 52' ' ' VAL . 53.2 m95 -67.05 -15.13 63.53 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . 0.4 ' C ' ' ND2' ' A' ' 73' ' ' ASN . . . 106.4 161.01 22.36 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.458 1.099 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.476 ' HA ' ' CD2' ' A' ' 126' ' ' LEU . 0.9 OUTLIER -161.88 176.58 10.68 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 125' ' ' SER . . . 138.45 44.06 0.08 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 68.18 -64.01 0.31 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 0.769 . . . . 0.0 109.952 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.515 ' O ' HD23 ' A' ' 126' ' ' LEU . 25.3 p -84.72 133.35 34.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.105 . . . . 0.0 110.013 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.515 HD23 ' O ' ' A' ' 125' ' ' SER . 0.5 OUTLIER -144.54 155.67 43.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -156.11 100.56 2.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.283 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 29.6 m -98.06 163.53 12.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.425 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -164.42 152.56 12.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.456 HD23 HG23 ' A' ' 138' ' ' VAL . 14.2 tp -117.85 130.54 56.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.7 HD13 ' HA ' ' A' ' 137' ' ' GLU . 19.2 mm -116.46 146.49 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . 0.409 ' ND2' ' O ' ' A' ' 136' ' ' GLU . 7.8 p30 -92.83 -171.7 2.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.446 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . 1.4 t -44.83 -41.7 7.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.052 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 136' ' ' GLU . 5.5 p -91.95 159.05 15.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.416 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -67.4 62.51 0.26 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.51 1.131 . . . . 0.0 111.031 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . 0.464 ' O ' HG23 ' A' ' 131' ' ' ILE . 18.2 tt0 -143.08 135.78 27.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 0.76 . . . . 0.0 110.33 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.7 ' HA ' HD13 ' A' ' 131' ' ' ILE . 4.0 tt0 -82.96 145.82 29.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 37' ' ' SER . 1.7 m -113.14 -35.32 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -144.08 157.88 44.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 17.3 ptm -142.84 143.74 32.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.468 ' HD2' ' CG1' ' A' ' 42' ' ' VAL . 7.8 ttt85 -131.05 82.57 2.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . 0.438 ' HE2' ' CG2' ' A' ' 144' ' ' VAL . 32.1 tttt -78.82 147.68 33.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.822 HD22 ' HB3' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -149.97 116.66 5.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.438 ' CG2' ' HE2' ' A' ' 142' ' ' LYS . 32.3 t -122.22 124.35 70.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.949 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 68.1 m-70 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.64 ' HB2' ' HG3' ' A' ' 141' ' ' ARG . . . -101.29 157.09 17.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -151.59 112.61 4.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -86.1 147.52 26.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.435 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.2 OUTLIER -155.94 81.78 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.989 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 156.81 -134.96 4.23 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.143 . . . . 0.0 111.038 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.6 mtm-85 -105.53 -41.88 5.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 0.746 . . . . 0.0 110.292 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.466 HG23 ' HG2' ' A' ' 62' ' ' GLN . 89.6 t -93.16 147.41 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -134.26 139.5 45.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.269 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.571 ' CG1' HG23 ' A' ' 45' ' ' VAL . 44.9 t -66.89 87.46 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 42' ' ' VAL . 7.5 tp10 -37.67 -72.81 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 110.308 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -153.8 132.61 12.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.82 HG22 HG13 ' A' ' 52' ' ' VAL . 9.6 t -119.51 103.78 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -42.41 112.34 0.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.556 ' O ' HD13 ' A' ' 126' ' ' LEU . 5.0 pt-20 -58.44 -35.51 72.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.258 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -61.26 -25.06 66.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.289 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.09 71.53 1.3 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -127.17 -45.26 1.55 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 0.754 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.522 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 35.2 p90 -155.46 155.34 33.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 111.038 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.82 HG13 HG22 ' A' ' 45' ' ' VAL . 26.0 t -118.89 113.02 40.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.58 ' HG3' HG23 ' A' ' 96' ' ' THR . 0.0 OUTLIER -98.4 124.27 42.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.279 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.799 HD11 ' CD1' ' A' ' 69' ' ' ILE . 10.8 mt -120.11 133.75 55.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.56 147.43 49.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.439 ' OD1' ' N ' ' A' ' 57' ' ' LYS . 52.7 t-20 -90.55 147.97 23.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.439 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 4.7 mmtp -112.51 -33.45 6.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.326 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.5 t -61.57 165.65 4.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 110.013 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.462 ' C ' ' CB ' ' A' ' 91' ' ' ALA . 1.1 p-10 -97.0 -18.27 19.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -93.65 128.73 39.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 110.269 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.51 132.57 6.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.466 ' HG2' HG23 ' A' ' 40' ' ' VAL . 36.1 tp60 -101.75 134.84 44.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.332 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.439 ' H ' ' NE2' ' A' ' 62' ' ' GLN . 48.0 t -99.33 126.3 45.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.099 . . . . 0.0 110.006 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.489 ' HA ' ' CD1' ' A' ' 67' ' ' TRP . 13.2 mtp -119.57 43.58 2.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.502 ' CA ' ' HA ' ' A' ' 85' ' ' PRO . . . -85.13 54.65 4.91 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.505 1.128 . . . . 0.0 110.944 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER 157.51 -25.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 0.729 . . . . 0.0 109.261 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.489 ' CD1' ' HA ' ' A' ' 64' ' ' MET . 12.6 m0 -43.07 163.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 108.022 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -149.88 169.36 21.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.282 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.799 ' CD1' HD11 ' A' ' 54' ' ' LEU . 11.5 mt -130.07 115.17 31.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 57.3 mtt-85 -86.31 131.1 34.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.323 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.409 ' O ' ' HA ' ' A' ' 78' ' ' LEU . 4.1 tpt180 -126.92 104.65 8.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.461 ' HB2' HD13 ' A' ' 78' ' ' LEU . 0.7 OUTLIER -123.65 93.51 3.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.323 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.495 ' HB2' HD23 ' A' ' 126' ' ' LEU . 8.6 p30 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.461 HD13 ' HB2' ' A' ' 72' ' ' GLN . 2.9 tp . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -105.52 134.31 48.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.6 m -115.38 94.16 4.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.368 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.479 ' CE2' HG21 ' A' ' 97' ' ' ILE . 63.6 t80 -74.23 95.2 2.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.5 ttt180 -80.27 121.2 25.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.539 ' CE2' HD11 ' A' ' 69' ' ' ILE . 19.7 m-85 -66.33 166.7 15.66 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.511 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.4 Cg_endo -75.0 144.97 30.86 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.535 1.808 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.502 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.2 Cg_endo -75.03 25.79 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.499 1.789 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.511 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.0 OUTLIER -144.3 35.0 1.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.147 . . . . 0.0 109.317 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.426 ' CZ ' HG21 ' A' ' 95' ' ' VAL . 18.6 t80 -120.57 130.87 54.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.416 HG22 ' O ' ' A' ' 88' ' ' THR . 0.8 OUTLIER -130.21 108.0 9.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.373 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 62' ' ' GLN . 54.0 tp -82.21 94.71 7.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 89' ' ' LEU . 38.5 mtmt -47.44 173.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.462 ' CB ' ' C ' ' A' ' 59' ' ' ASN . . . -85.01 132.5 34.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.26 9.67 86.68 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.506 1.129 . . . . 0.0 110.953 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.424 ' NE2' ' O ' ' A' ' 91' ' ' ALA . 1.4 mp0 -94.95 175.16 6.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 0.748 . . . . 0.0 110.323 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.9 p -144.39 160.17 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 110' ' ' THR . 6.5 p -147.95 147.12 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.58 HG23 ' HG3' ' A' ' 53' ' ' ARG . 9.2 m -120.66 131.95 54.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.469 1.105 . . . . 0.0 110.4 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.526 HD12 ' O ' ' A' ' 52' ' ' VAL . 4.1 mp -117.48 81.98 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.522 ' CE3' ' HB3' ' A' ' 51' ' ' PHE . 37.4 m95 -66.94 166.62 13.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 107.975 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.538 ' O ' ' HB3' ' A' ' 102' ' ' ALA . . . -111.22 142.94 42.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 99' ' ' ALA . 4.2 t -37.43 -59.04 0.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.987 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 118' ' ' ASN . . . -47.09 -48.77 19.41 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 99' ' ' ALA . . . -41.79 -43.69 3.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 0.763 . . . . 0.0 109.281 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 76.19 23.84 70.26 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.534 1.146 . . . . 0.0 111.02 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.61 -159.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 0.786 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -126.95 116.94 21.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.388 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.472 ' CE1' HD23 ' A' ' 112' ' ' LEU . 10.0 t60 -58.83 111.57 1.33 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.625 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.481 ' CB ' ' HB2' ' A' ' 111' ' ' ASP . 0.4 OUTLIER -141.48 68.18 25.53 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.026 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.53 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.4 Cg_endo -75.01 169.16 23.24 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.525 1.802 . . . . 0.0 111.001 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.53 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.5 Cg_endo -74.95 -10.62 24.07 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 121.034 -2.486 . . . . 0.0 111.027 0.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.675 ' O ' HG23 ' A' ' 95' ' ' VAL . 33.3 p -60.87 -88.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.373 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.481 ' HB2' ' CB ' ' A' ' 107' ' ' SER . 13.8 m-20 -67.39 144.38 55.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.33 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.476 ' CD2' ' HB3' ' A' ' 108' ' ' PRO . 26.7 mt -141.81 151.2 42.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 47.1 t -122.21 119.51 58.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.51 ' CD2' ' HB2' ' A' ' 117' ' ' GLN . 5.1 t90 -80.23 99.17 7.69 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.14 -43.88 18.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -45.64 -51.91 11.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.544 ' NE2' ' H ' ' A' ' 119' ' ' THR . 0.1 OUTLIER -90.67 176.4 6.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.403 ' O ' ' N ' ' A' ' 101' ' ' GLY . 3.5 p30 -116.01 -31.91 5.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.544 ' H ' ' NE2' ' A' ' 117' ' ' GLN . 13.1 t -160.44 128.51 4.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.379 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.421 ' CD1' ' HB2' ' A' ' 99' ' ' ALA . 54.3 m95 -45.55 -42.18 10.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 108.027 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 135.84 133.3 3.21 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.13 . . . . 0.0 111.049 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 4.0 p -113.41 -172.18 2.02 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 126.99 -156.65 20.34 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.2 p -108.62 -32.05 7.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 0.785 . . . . 0.0 110.029 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 32.9 p -113.15 119.44 37.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.98 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.556 HD13 ' O ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -135.52 150.61 49.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -150.45 108.4 3.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 110.33 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 5.7 m -108.49 141.7 39.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.418 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -137.66 145.27 42.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.532 HD23 HG23 ' A' ' 138' ' ' VAL . 14.9 tp -103.96 131.57 51.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.748 HD13 ' HA ' ' A' ' 137' ' ' GLU . 24.2 mm -117.3 146.28 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . 0.536 HD22 HG13 ' A' ' 138' ' ' VAL . 9.9 p30 -97.71 -170.94 2.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 132' ' ' ASN . 0.4 OUTLIER -36.73 -59.64 0.66 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 136' ' ' GLU . 51.8 p -79.49 160.24 26.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -68.19 60.96 0.4 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.469 1.105 . . . . 0.0 110.963 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . 0.492 ' O ' HG23 ' A' ' 131' ' ' ILE . 15.0 tt0 -137.11 138.56 40.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 0.787 . . . . 0.0 110.29 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.748 ' HA ' HD13 ' A' ' 131' ' ' ILE . 4.0 tm-20 -84.54 142.98 29.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.536 HG13 HD22 ' A' ' 132' ' ' ASN . 2.9 m -112.81 -36.78 2.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -141.03 161.53 37.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 17.1 ptm -143.46 157.54 44.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.64 ' HG3' ' HB2' ' A' ' 34' ' ' ALA . 4.8 ttm-85 -147.49 87.38 1.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.334 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . 0.45 ' O ' HD22 ' A' ' 143' ' ' LEU . 36.3 tttt -85.02 125.88 33.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.45 HD22 ' O ' ' A' ' 142' ' ' LYS . 1.3 mm? -123.02 116.21 23.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 2.9 t -121.23 132.56 70.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 -179.996 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.665 ' HB2' ' HG3' ' A' ' 141' ' ' ARG . . . -102.47 166.36 10.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.33 108.97 1.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.27 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.99 147.76 26.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.384 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 138' ' ' VAL . 4.8 m -156.44 81.94 0.97 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.102 . . . . 0.0 109.986 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 157.08 -138.66 6.0 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.491 1.119 . . . . 0.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.456 ' CG ' ' HB3' ' A' ' 58' ' ' SER . 7.8 mtm180 -102.11 -39.08 7.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 0.77 . . . . 0.0 110.276 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 88.3 t -89.33 156.3 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.17 136.65 25.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.829 ' HA ' HD23 ' A' ' 54' ' ' LEU . 47.9 t -64.48 87.19 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -39.58 -59.61 1.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.285 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -170.88 135.46 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.822 HG22 HG13 ' A' ' 52' ' ' VAL . 10.5 t -122.12 116.95 50.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -50.73 108.09 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.48 ' O ' ' CD1' ' A' ' 126' ' ' LEU . 8.0 pt-20 -56.55 -31.23 63.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -67.03 -26.4 66.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.328 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.5 81.34 1.38 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.593 ' HD2' ' HB1' ' A' ' 102' ' ' ALA . 2.2 mmmt -139.71 -49.93 0.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.574 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 49.5 p90 -148.31 157.71 43.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.822 HG13 HG22 ' A' ' 45' ' ' VAL . 52.4 t -120.16 109.42 25.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.73 126.46 36.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.257 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.829 HD23 ' HA ' ' A' ' 42' ' ' VAL . 33.3 mt -125.32 125.44 43.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.513 ' CG ' HG22 ' A' ' 94' ' ' VAL . 25.7 ttp180 -119.83 146.54 45.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -89.63 145.89 24.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.85 -34.96 6.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.456 ' HB3' ' CG ' ' A' ' 39' ' ' ARG . 84.0 p -61.55 165.65 4.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 110.007 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.458 ' HA ' ' HB1' ' A' ' 91' ' ' ALA . 0.5 OUTLIER -103.81 13.14 33.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 0.0 109.343 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -125.13 131.74 53.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -47.3 119.97 2.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 50.5 tp60 -94.28 114.2 26.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.343 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 89.8 p -71.34 121.77 19.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.019 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 43.8 mtp -115.14 46.03 1.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.516 ' CA ' ' HA ' ' A' ' 85' ' ' PRO . . . -91.81 55.35 3.0 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.479 1.112 . . . . 0.0 110.967 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.465 ' ND2' ' O ' ' A' ' 65' ' ' GLY . 0.3 OUTLIER 159.46 -28.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 0.787 . . . . 0.0 109.275 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 11.2 m0 -43.98 161.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 108.029 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -146.05 169.91 17.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 1.09 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 4.7 mt -129.7 115.84 35.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.402 ' HB2' ' HB3' ' A' ' 129' ' ' ALA . 38.6 mtt-85 -89.6 139.56 30.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.421 ' NH1' ' HB3' ' A' ' 120' ' ' TRP . 0.4 OUTLIER -140.33 102.03 4.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 110.296 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.643 ' HB2' HD13 ' A' ' 78' ' ' LEU . 0.8 OUTLIER -114.46 105.92 13.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.16 . . . . 0.0 110.263 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.42 ' OD1' ' NE ' ' A' ' 71' ' ' ARG . 41.4 m-20 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.643 HD13 ' HB2' ' A' ' 72' ' ' GLN . 10.7 tp . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -112.16 155.86 23.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 17.8 m -140.64 98.59 3.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 110.425 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -77.33 98.76 5.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.967 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.4 ttp85 -83.47 113.76 21.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 1.09 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 37.5 m-85 -59.07 164.74 4.16 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.511 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.3 Cg_endo -75.0 145.89 31.99 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.493 1.786 . . . . 0.0 110.993 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.516 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.3 Cg_endo -75.02 25.45 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.478 1.778 . . . . 0.0 111.023 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.511 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.7 OUTLIER -144.18 38.76 1.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -128.45 135.12 49.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -134.6 111.13 9.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 90' ' ' LYS . 33.7 tp -81.93 96.8 7.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 89' ' ' LEU . 1.0 OUTLIER -47.82 173.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.458 ' HB1' ' HA ' ' A' ' 59' ' ' ASN . . . -81.22 139.77 35.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 67.54 7.99 49.57 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.403 ' NE2' ' O ' ' A' ' 91' ' ' ALA . 0.4 OUTLIER -87.65 175.6 7.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 0.76 . . . . 0.0 110.289 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.513 HG22 ' CG ' ' A' ' 55' ' ' ARG . 19.6 t -147.59 145.76 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.6 p -133.57 138.39 51.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 112' ' ' LEU . 2.0 m -111.67 126.22 54.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 110.414 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.462 ' N ' HD12 ' A' ' 97' ' ' ILE . 4.8 mp -111.64 85.84 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.574 ' CE3' ' HB3' ' A' ' 51' ' ' PHE . 53.0 m95 -71.22 165.9 22.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 107.996 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 100' ' ' SER . . . -106.69 141.17 38.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.103 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 99' ' ' ALA . 4.4 t -37.09 -46.2 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.002 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -99.98 75.13 0.46 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.518 1.136 . . . . 0.0 111.033 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.593 ' HB1' ' HD2' ' A' ' 50' ' ' LYS . . . -161.08 27.96 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 0.746 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 102' ' ' ALA . . . 35.04 52.32 0.87 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.482 1.114 . . . . 0.0 110.97 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.461 ' CB ' ' CB ' ' A' ' 98' ' ' TRP . . . -99.81 -158.47 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 0.79 . . . . 0.0 109.353 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.3 m -158.42 122.1 3.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.43 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.505 ' NE2' ' HG3' ' A' ' 108' ' ' PRO . 21.3 t60 -62.81 94.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.157 . . . . 0.0 109.626 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.04 65.5 75.53 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.032 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.579 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.3 Cg_endo -74.99 170.55 20.18 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.531 1.806 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.579 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -75.01 -13.05 23.86 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 120.998 -2.501 . . . . 0.0 110.979 -0.004 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 71.7 p -57.0 -85.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.41 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -79.05 145.01 34.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.52 HD21 ' HB3' ' A' ' 108' ' ' PRO . 16.1 mt -139.28 161.86 36.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 54.6 t -128.17 121.6 56.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.651 ' NE1' ' HB3' ' A' ' 116' ' ' ALA . 6.5 t90 -81.55 100.29 9.29 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -79.67 -42.28 25.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.651 ' HB3' ' NE1' ' A' ' 114' ' ' TRP . . . -45.88 -53.46 9.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.521 ' HB2' ' CE2' ' A' ' 114' ' ' TRP . 0.1 OUTLIER -97.55 175.86 6.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.419 ' HA ' ' HB3' ' A' ' 100' ' ' SER . 4.1 p30 -113.2 -24.45 9.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.439 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 14.9 t -162.34 149.29 13.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.374 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.591 ' CE2' ' CG2' ' A' ' 52' ' ' VAL . 60.7 m95 -66.0 -33.25 75.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 107.972 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 126.05 138.67 4.93 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 8.9 p -122.64 -170.78 2.15 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 132.72 -121.03 2.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 58.2 p -137.71 -50.24 0.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 110.007 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 71.0 m -107.73 110.27 22.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.018 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.48 ' CD1' ' O ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -122.7 155.42 36.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.257 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -143.89 116.75 8.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 110.332 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 15.3 m -108.09 151.61 25.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.103 . . . . 0.0 110.411 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.402 ' HB3' ' HB2' ' A' ' 70' ' ' ARG . . . -150.33 152.09 33.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.364 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.461 HD23 HG23 ' A' ' 138' ' ' VAL . 14.0 tp -118.69 130.42 55.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.54 HG23 ' O ' ' A' ' 136' ' ' GLU . 19.0 mm -111.9 146.77 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . 0.604 ' ND2' HG13 ' A' ' 138' ' ' VAL . 0.7 OUTLIER -100.88 -175.11 2.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 132' ' ' ASN . 1.1 p -34.12 -53.27 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.007 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 136' ' ' GLU . 43.0 p -85.22 158.72 20.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.431 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -67.83 61.99 0.33 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.549 1.156 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . 0.54 ' O ' HG23 ' A' ' 131' ' ' ILE . 16.7 tt0 -139.07 147.48 42.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 0.789 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.444 ' HA ' HD13 ' A' ' 131' ' ' ILE . 1.1 tt0 -91.0 141.37 28.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.33 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.604 HG13 ' ND2' ' A' ' 132' ' ' ASN . 1.9 m -108.95 -34.79 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.274 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -150.83 157.56 43.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 14.5 ptm -144.26 150.48 37.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.665 ' HG3' ' HB2' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -134.94 97.5 3.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 39.8 tttt -92.66 120.81 33.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.352 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.432 HD23 ' HG2' ' A' ' 141' ' ' ARG . 1.0 OUTLIER -115.02 109.27 17.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 3.0 t -111.11 125.71 68.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.323 179.955 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.956 ' NE2' HG23 ' A' ' 144' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.496 ' CB ' ' HA ' ' A' ' 141' ' ' ARG . . . -109.24 158.68 17.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.087 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.22 110.04 4.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.415 HG21 ' HB2' ' A' ' 41' ' ' ALA . 0.9 OUTLIER -89.58 147.55 23.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 110.379 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 138' ' ' VAL . 4.9 m -156.0 82.27 1.01 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.138 . . . . 0.0 110.01 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 162.34 -142.04 7.66 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.517 1.136 . . . . 0.0 110.99 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.476 ' CB ' ' HB2' ' A' ' 58' ' ' SER . 9.8 mtm180 -99.01 -34.07 10.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.778 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.571 HG23 ' HG2' ' A' ' 62' ' ' GLN . 96.4 t -97.43 167.71 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.542 ' N ' HG12 ' A' ' 40' ' ' VAL . . . -152.22 142.09 22.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.761 ' HA ' HD23 ' A' ' 54' ' ' LEU . 58.8 t -68.99 86.52 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 42' ' ' VAL . 0.1 OUTLIER -38.79 -66.23 0.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.34 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -161.78 129.71 4.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.753 HG22 HG13 ' A' ' 52' ' ' VAL . 8.2 t -116.52 104.76 17.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -43.61 113.22 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.262 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.453 ' O ' ' CD1' ' A' ' 126' ' ' LEU . 5.0 pt-20 -56.32 -36.93 69.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.3 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -58.37 -23.02 55.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.49 62.87 1.83 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.531 1.144 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.1 mtmm -117.52 -49.67 2.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 0.745 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.461 ' CB ' ' HA ' ' A' ' 98' ' ' TRP . 44.7 p90 -148.6 158.72 44.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.753 HG13 HG22 ' A' ' 45' ' ' VAL . 24.6 t -121.05 113.72 40.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -96.45 123.19 40.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 0.0 110.277 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.761 HD23 ' HA ' ' A' ' 42' ' ' VAL . 23.4 mt -117.51 127.67 54.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.4 ' CB ' ' HB2' ' A' ' 43' ' ' GLU . 27.2 ttp180 -118.45 148.97 42.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 58' ' ' SER . 41.2 t-20 -96.57 133.93 40.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -104.33 -27.52 11.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.344 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.674 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 13.1 t -64.33 163.26 13.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.972 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.427 ' C ' ' CB ' ' A' ' 91' ' ' ALA . 4.6 t30 -96.16 -19.13 19.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.419 ' CG ' ' HD3' ' A' ' 39' ' ' ARG . 2.2 pt-20 -96.56 123.24 40.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -40.08 128.78 2.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.571 ' HG2' HG23 ' A' ' 40' ' ' VAL . 39.1 tp60 -96.12 124.27 40.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.327 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.414 ' N ' ' NE2' ' A' ' 62' ' ' GLN . 2.4 m -89.59 110.03 20.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 15.1 mtp -105.02 41.67 1.31 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.464 1.103 . . . . 0.0 111.005 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.54 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -83.56 58.89 5.01 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.54 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 1.2 m120 153.54 -27.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 0.0 109.318 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.563 ' CG ' ' HA ' ' A' ' 132' ' ' ASN . 18.6 m0 -42.42 161.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 108.014 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -141.24 173.86 11.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.326 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 1.106 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 7.5 mt -134.66 117.58 23.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.724 ' HB2' ' HB3' ' A' ' 129' ' ' ALA . 35.0 mtt-85 -88.98 145.51 25.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.259 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.438 ' NH1' ' OG1' ' A' ' 128' ' ' THR . 0.1 OUTLIER -146.37 110.03 4.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.445 ' CG ' ' HG ' ' A' ' 78' ' ' LEU . 5.1 tm0? -124.79 104.58 8.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.122 . . . . 0.0 110.31 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.592 HD23 ' N ' ' A' ' 79' ' ' MET . 1.4 tt . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.592 ' N ' HD23 ' A' ' 78' ' ' LEU . 0.5 OUTLIER -121.7 155.96 34.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 91.3 m -140.84 103.32 4.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.405 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.434 ' CD1' HD12 ' A' ' 69' ' ' ILE . 39.2 t80 -82.12 104.58 12.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 34.8 ttp85 -86.73 121.48 29.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.267 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 1.106 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 29.1 m-85 -67.31 166.23 22.56 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 111.043 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.507 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.2 Cg_endo -75.02 145.41 31.34 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.485 1.782 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.448 ' HA ' ' C ' ' A' ' 65' ' ' GLY . 18.2 Cg_endo -75.03 29.3 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.55 1.816 . . . . 0.0 111.008 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.507 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.0 OUTLIER -148.59 38.26 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -127.63 129.5 47.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.976 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.1 m -129.76 114.3 15.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.38 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 62' ' ' GLN . 54.9 tp -85.98 95.32 9.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.137 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -47.31 166.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.674 ' HB1' ' O ' ' A' ' 58' ' ' SER . . . -78.6 134.02 37.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 78.31 4.56 86.97 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 91' ' ' ALA . 0.8 OUTLIER -89.51 176.02 7.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 0.766 . . . . 0.0 110.254 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 13.1 p -144.27 158.97 15.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 110' ' ' THR . 12.9 p -146.93 151.2 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.349 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 112' ' ' LEU . 21.0 m -126.54 126.71 44.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 110.433 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.549 ' N ' HD12 ' A' ' 97' ' ' ILE . 4.1 mp -113.4 82.92 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.603 ' CG ' ' CB ' ' A' ' 104' ' ' ALA . 42.0 m95 -66.39 162.17 21.0 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.455 ' HB2' ' CD1' ' A' ' 120' ' ' TRP . . . -104.73 141.08 37.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 99' ' ' ALA . 3.8 t -37.67 -56.6 1.04 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.983 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 118' ' ' ASN . . . -42.15 -59.97 2.81 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.03 152.65 2.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 0.79 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -89.12 39.47 3.12 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.475 1.109 . . . . 0.0 111.034 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.603 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -70.07 173.48 6.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 0.794 . . . . 0.0 109.245 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -126.44 115.92 20.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.378 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.501 ' CE1' HD23 ' A' ' 112' ' ' LEU . 13.7 t60 -54.63 110.26 0.62 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.123 . . . . 0.0 109.578 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.48 ' CB ' ' HB2' ' A' ' 111' ' ' ASP . 0.4 OUTLIER -143.06 68.86 18.09 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.548 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.3 Cg_endo -74.98 169.13 23.31 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.552 1.817 . . . . 0.0 110.964 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.548 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -75.03 -12.95 23.96 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 120.983 -2.507 . . . . 0.0 111.019 -0.002 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.64 ' O ' HG23 ' A' ' 95' ' ' VAL . 44.3 p -58.06 -82.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.408 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.512 ' N ' ' OG1' ' A' ' 110' ' ' THR . 74.3 m-20 -73.7 148.78 42.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.501 HD23 ' CE1' ' A' ' 106' ' ' HIS . 44.9 mt -145.72 151.36 37.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 57.3 t -123.95 121.43 62.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.609 ' NE1' ' HB3' ' A' ' 116' ' ' ALA . 7.8 t90 -82.77 97.53 8.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 108.02 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.4 mtpp -78.46 -44.43 24.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.609 ' HB3' ' NE1' ' A' ' 114' ' ' TRP . . . -40.57 -55.57 2.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.515 ' HB2' ' CE2' ' A' ' 114' ' ' TRP . 0.7 OUTLIER -92.01 175.87 6.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 101' ' ' GLY . 3.8 p30 -114.41 -26.37 7.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.447 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 14.6 t -161.72 129.47 4.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.434 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.455 ' CD1' ' HB2' ' A' ' 99' ' ' ALA . 50.5 m95 -47.04 -45.6 21.55 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 132.99 143.59 5.06 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 2.6 p -119.34 -172.98 2.42 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 127.42 143.59 5.78 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 145' ' ' ARG . 14.0 p -45.07 -33.33 2.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 0.743 . . . . 0.0 110.01 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.536 ' OG ' HG13 ' A' ' 144' ' ' VAL . 1.6 m -120.19 131.45 55.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.942 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.453 ' CD1' ' O ' ' A' ' 47' ' ' GLU . 0.4 OUTLIER -132.53 148.38 52.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 3.5 ttt-85 -136.4 107.67 6.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.288 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.438 ' OG1' ' NH1' ' A' ' 71' ' ' ARG . 29.7 m -113.88 144.94 42.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.391 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.724 ' HB3' ' HB2' ' A' ' 70' ' ' ARG . . . -142.58 158.51 43.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.118 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.483 HD23 HG23 ' A' ' 138' ' ' VAL . 13.6 tp -121.72 129.1 52.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.651 HD13 ' HA ' ' A' ' 137' ' ' GLU . 24.5 mm -110.38 148.79 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . 0.563 ' HA ' ' CG ' ' A' ' 67' ' ' TRP . 6.2 p30 -100.81 -173.33 2.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.49 ' N ' ' CD1' ' A' ' 67' ' ' TRP . 6.4 p -37.72 -46.38 0.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 109.98 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 136' ' ' GLU . 60.3 p -90.75 159.25 16.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 110.376 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -68.75 60.4 0.49 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.517 1.135 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . 0.465 ' O ' ' ND2' ' A' ' 132' ' ' ASN . 6.2 tt0 -140.96 139.49 34.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.651 ' HA ' HD13 ' A' ' 131' ' ' ILE . 22.2 tt0 -80.57 140.53 35.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 110.251 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.483 HG23 HD23 ' A' ' 130' ' ' LEU . 2.5 m -111.81 -30.11 2.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.25 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -150.29 160.47 43.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 25.3 ptm -147.8 155.08 41.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.496 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 30.3 ttm-85 -143.09 106.84 4.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . 0.622 ' CG ' ' CE1' ' A' ' 33' ' ' HIS . 17.5 tttt -98.59 133.56 42.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.569 HD22 ' O ' ' A' ' 142' ' ' LYS . 1.3 mm? -127.8 105.87 8.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.956 HG23 ' NE2' ' A' ' 33' ' ' HIS . 23.4 t -113.56 136.94 48.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . 0.405 ' N ' ' O ' ' A' ' 124' ' ' SER . 71.6 ttt180 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 46.6 m-70 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.481 ' CB ' ' HA ' ' A' ' 141' ' ' ARG . . . -102.18 160.19 14.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.53 108.34 2.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.359 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.3 149.34 26.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.393 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.5 OUTLIER -156.17 82.22 0.99 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 110.005 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 158.63 -140.41 6.91 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.458 ' CB ' ' HB3' ' A' ' 58' ' ' SER . 9.7 mtm180 -98.77 -39.42 8.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 0.787 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.518 HG12 ' N ' ' A' ' 41' ' ' ALA . 83.0 t -89.71 165.84 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.518 ' N ' HG12 ' A' ' 40' ' ' VAL . . . -152.45 132.6 13.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.428 ' CG1' ' HD2' ' A' ' 141' ' ' ARG . 92.1 t -61.14 89.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -42.72 -71.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 45' ' ' VAL . 1.4 tp10 -156.68 138.07 13.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.498 HG22 HG22 ' A' ' 52' ' ' VAL . 4.9 t -125.33 122.29 62.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.407 ' OD2' ' CE2' ' A' ' 51' ' ' PHE . 1.6 t0 -56.01 112.04 1.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.431 ' HB3' HD22 ' A' ' 143' ' ' LEU . 4.6 pt-20 -57.31 -21.76 37.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 110.305 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -73.94 -27.05 60.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.335 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.11 61.58 1.48 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.6 mtpt -119.07 -44.21 2.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.0 109.271 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.626 ' CD2' ' CZ3' ' A' ' 98' ' ' TRP . 28.6 p90 -151.29 160.42 43.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.533 ' O ' HD12 ' A' ' 97' ' ' ILE . 3.8 t -124.04 113.83 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.422 1.076 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.508 ' HG3' HG23 ' A' ' 96' ' ' THR . 0.0 OUTLIER -97.36 122.75 40.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.292 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.415 HD13 HD13 ' A' ' 130' ' ' LEU . 12.1 mt -121.4 130.52 53.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.103 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -121.71 148.48 44.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 -91.51 141.38 28.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -108.18 -29.12 9.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.564 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 93.6 p -64.96 152.27 43.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -87.44 -12.29 46.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.345 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -99.28 131.9 44.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -43.96 133.76 4.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.573 ' NE2' ' CZ2' ' A' ' 67' ' ' TRP . 47.9 tp60 -106.24 120.75 42.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.7 p -90.49 118.99 30.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.0 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.496 ' HA ' ' CD1' ' A' ' 67' ' ' TRP . 14.4 mtp -109.63 45.89 1.05 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.139 . . . . 0.0 110.959 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.521 ' O ' ' ND2' ' A' ' 66' ' ' ASN . . . -86.7 56.75 4.69 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.521 ' ND2' ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER 154.54 -23.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 109.319 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.573 ' CZ2' ' NE2' ' A' ' 62' ' ' GLN . 12.3 m0 -44.79 165.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -149.51 172.5 14.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.351 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.94 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 9.0 mt -131.86 120.96 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.447 ' HB2' ' HB3' ' A' ' 129' ' ' ALA . 2.1 mtt-85 -97.37 119.98 36.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.329 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.498 ' CZ ' ' O ' ' A' ' 120' ' ' TRP . 15.7 tpt180 -126.6 118.29 24.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.936 ' HB2' HD13 ' A' ' 78' ' ' LEU . 14.6 tm0? -133.0 120.03 20.84 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.7 p30 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.157 . . . . 0.0 109.349 179.955 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.936 HD13 ' HB2' ' A' ' 72' ' ' GLN . 11.3 tp . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.414 ' CG ' ' HB3' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -108.8 148.13 31.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 110.973 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 14.2 m -132.54 104.97 6.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.379 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.647 ' CD2' HD12 ' A' ' 69' ' ' ILE . 46.5 t80 -87.71 99.97 12.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 111.038 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.2 ttp-105 -82.26 120.97 26.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.94 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 22.9 m-85 -65.14 166.8 11.62 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.969 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.42 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 18.3 Cg_endo -75.0 149.03 36.09 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.481 1.78 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.49 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.2 Cg_endo -74.98 4.13 5.0 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.479 1.779 . . . . 0.0 110.967 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.12 48.76 2.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -129.12 134.81 48.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.9 m -134.79 106.7 7.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.447 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.403 ' HB2' ' SD ' ' A' ' 64' ' ' MET . 55.8 tp -85.92 93.6 8.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -44.87 166.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.263 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.564 ' HB1' ' O ' ' A' ' 58' ' ' SER . . . -78.49 134.25 37.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.73 6.79 87.21 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.491 1.119 . . . . 0.0 111.045 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' A' ' 91' ' ' ALA . 1.1 mp0 -92.59 169.78 10.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.5 p -140.32 158.42 25.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.5 p -147.66 145.23 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.508 HG23 ' HG3' ' A' ' 53' ' ' ARG . 13.7 m -118.36 127.54 53.78 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.108 . . . . 0.0 110.39 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.533 HD12 ' O ' ' A' ' 52' ' ' VAL . 4.1 mp -110.66 84.99 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.626 ' CZ3' ' CD2' ' A' ' 51' ' ' PHE . 27.0 m95 -71.89 165.22 24.59 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 101' ' ' GLY . . . -105.48 142.18 35.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 99' ' ' ALA . 13.4 t -38.47 -30.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.001 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 99' ' ' ALA . . . -112.22 65.27 0.26 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -147.91 23.92 1.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.775 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 39.6 38.4 1.03 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.141 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.461 ' CB ' ' CB ' ' A' ' 98' ' ' TRP . . . -91.74 -161.45 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.757 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -154.03 123.13 6.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.406 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.507 ' NE2' ' HG3' ' A' ' 108' ' ' PRO . 20.3 t60 -60.76 96.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.62 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.447 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 0.5 OUTLIER -133.83 62.48 58.31 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.014 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.584 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.4 Cg_endo -75.0 170.77 19.7 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.533 1.807 . . . . 0.0 110.999 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.584 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.2 Cg_endo -75.03 -14.38 23.19 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 121.001 -2.5 . . . . 0.0 110.983 0.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 107' ' ' SER . 62.1 p -53.64 -71.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.394 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 108' ' ' PRO . 3.2 m-20 -96.57 148.5 22.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.541 ' CD2' ' HB3' ' A' ' 108' ' ' PRO . 14.7 mt -142.0 157.82 44.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 57.0 t -127.6 125.79 66.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.747 ' NE1' ' HB3' ' A' ' 116' ' ' ALA . 6.1 t90 -82.86 102.15 11.45 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -78.78 -38.12 39.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.245 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.747 ' HB3' ' NE1' ' A' ' 114' ' ' TRP . . . -53.33 -49.56 66.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.517 ' HB2' ' CE2' ' A' ' 114' ' ' TRP . 0.8 OUTLIER -106.86 175.38 5.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.27 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -136.72 17.4 3.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 5.9 t -175.76 144.53 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.396 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.498 ' O ' ' CZ ' ' A' ' 71' ' ' ARG . 52.4 m95 -92.25 19.03 7.41 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . 0.462 ' O ' ' NH2' ' A' ' 71' ' ' ARG . . . 70.27 128.67 0.06 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.132 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 26.2 p -112.62 -166.03 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 123.16 161.53 11.22 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.453 1.095 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.3 p -63.61 -22.85 67.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.74 . . . . 0.0 110.025 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 68.6 p -118.55 129.0 55.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.033 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.454 HD22 HH21 ' A' ' 71' ' ' ARG . 0.7 OUTLIER -139.87 147.82 41.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.405 ' HB2' ' NH1' ' A' ' 127' ' ' ARG . 18.8 ttm105 -148.57 97.99 2.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.419 ' OG1' ' HD3' ' A' ' 71' ' ' ARG . 3.3 m -91.97 157.14 16.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.08 . . . . 0.0 110.402 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.447 ' HB3' ' HB2' ' A' ' 70' ' ' ARG . . . -156.58 153.27 28.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.423 HD23 HG23 ' A' ' 138' ' ' VAL . 13.8 tp -120.75 131.6 54.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.824 HD13 ' HA ' ' A' ' 137' ' ' GLU . 23.5 mm -113.58 147.94 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 136' ' ' GLU . 7.9 p30 -98.66 -168.25 1.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.451 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . 0.1 OUTLIER -38.23 -59.6 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.023 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 136' ' ' GLU . 5.7 t -81.47 160.84 23.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 110.395 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -67.82 63.94 0.32 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.559 1.162 . . . . 0.0 111.039 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . 0.445 ' O ' ' ND2' ' A' ' 132' ' ' ASN . 17.0 tt0 -141.94 134.35 28.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 0.761 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.824 ' HA ' HD13 ' A' ' 131' ' ' ILE . 10.8 tt0 -76.81 143.57 39.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.571 1.169 . . . . 0.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 37' ' ' SER . 1.1 m -114.05 -33.96 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -144.65 157.29 44.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 13.7 ptm -140.43 154.34 46.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.481 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 18.0 ttm-85 -139.81 89.18 2.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 48.6 tttt -79.48 145.05 33.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 109.26 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.431 HD22 ' HB3' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -150.09 118.29 6.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 5.0 t -126.83 124.05 64.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 48.7 ttt85 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 110.282 -179.984 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 39.0 m-70 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -89.96 163.16 15.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.0 100.81 0.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.34 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.89 148.66 26.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 110.396 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.9 OUTLIER -156.03 81.94 1.0 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.015 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.68 -128.44 2.0 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.431 1.082 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.2 mtm-85 -114.61 -37.41 4.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 110.32 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.684 HG21 ' OE1' ' A' ' 62' ' ' GLN . 40.7 t -92.79 146.98 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -135.02 136.4 42.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.252 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.614 ' CG1' HG23 ' A' ' 45' ' ' VAL . 30.7 t -64.19 90.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.76 -69.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 110.308 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -156.02 127.63 7.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.847 HG22 HG13 ' A' ' 52' ' ' VAL . 9.1 t -117.36 110.16 30.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -50.53 112.41 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.335 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.713 ' HB3' HD22 ' A' ' 143' ' ' LEU . 7.7 pt-20 -59.96 -36.87 78.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -57.74 -23.86 54.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.285 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 85.04 67.04 1.42 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -123.77 -45.09 2.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 0.795 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.558 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 45.7 p90 -156.34 156.95 34.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.847 HG13 HG22 ' A' ' 45' ' ' VAL . 24.4 t -120.06 115.98 49.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.353 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.71 122.83 44.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.778 HD11 HD13 ' A' ' 69' ' ' ILE . 4.4 mt -120.5 136.29 54.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -127.65 147.69 50.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.267 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.442 ' OD1' ' N ' ' A' ' 57' ' ' LYS . 54.2 t-20 -89.43 143.66 26.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.09 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.442 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 3.1 mmtp -108.53 -28.83 9.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 72.3 p -61.26 174.1 0.75 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.96 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.478 ' C ' ' CB ' ' A' ' 91' ' ' ALA . 1.6 p30 -103.0 -18.68 14.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.45 ' C ' ' HB2' ' A' ' 91' ' ' ALA . 5.8 mt-10 -103.67 137.02 42.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.332 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.37 134.81 6.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.684 ' OE1' HG21 ' A' ' 40' ' ' VAL . 0.9 OUTLIER -95.3 126.91 40.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.478 ' N ' HE21 ' A' ' 62' ' ' GLN . 0.7 OUTLIER -88.67 92.12 9.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.997 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.597 ' HA ' ' CD1' ' A' ' 67' ' ' TRP . 4.9 mtp -88.63 53.19 2.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -89.77 115.79 4.62 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.5 OUTLIER 82.19 6.25 1.04 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 0.763 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.65 ' CZ2' ' NE2' ' A' ' 62' ' ' GLN . 11.3 m0 -67.96 169.35 10.12 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.531 ' O ' HD12 ' A' ' 130' ' ' LEU . 8.8 mt-30 -152.52 166.45 31.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.908 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 1.2 mt -132.95 107.4 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 129' ' ' ALA . 3.9 mtt-85 -75.5 146.53 40.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.369 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.408 ' CZ ' ' HB3' ' A' ' 120' ' ' TRP . 4.3 tpt180 -144.49 89.55 2.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.357 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.536 ' HB2' HD13 ' A' ' 78' ' ' LEU . 7.7 tm0? -97.91 107.31 19.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 0.0 110.296 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.536 HD13 ' HB2' ' A' ' 72' ' ' GLN . 6.1 tp . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -105.49 159.0 16.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.961 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.9 m -144.12 94.62 2.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.401 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -67.09 99.02 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.5 124.07 29.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.267 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.908 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 25.7 m-85 -75.61 168.68 25.57 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.441 ' HD2' ' HB3' ' A' ' 83' ' ' PHE . 18.4 Cg_endo -74.96 163.72 34.84 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.541 1.811 . . . . 0.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 0.37 8.98 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.506 1.793 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.07 68.62 1.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.794 ' HZ ' HG21 ' A' ' 95' ' ' VAL . 19.5 t80 -129.41 90.71 3.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.88 113.74 25.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.37 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 53.6 tp -94.35 95.77 9.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -41.06 160.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.251 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.478 ' CB ' ' C ' ' A' ' 59' ' ' ASN . . . -76.15 135.64 39.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.96 7.74 81.83 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -92.59 171.69 8.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 110.272 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.9 p -137.98 160.01 33.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.794 HG21 ' HZ ' ' A' ' 87' ' ' PHE . 2.3 p -145.99 136.9 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.421 ' O ' ' N ' ' A' ' 112' ' ' LEU . 33.3 m -111.54 131.05 55.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.378 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.534 HD12 ' O ' ' A' ' 52' ' ' VAL . 4.4 mp -116.32 82.07 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.649 ' CG ' ' CB ' ' A' ' 104' ' ' ALA . 47.0 m95 -67.16 162.42 22.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 107.989 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 100' ' ' SER . . . -107.48 142.67 36.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 99' ' ' ALA . 5.3 t -38.79 -45.95 1.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.98 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -49.04 -59.21 7.06 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.77 162.26 1.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 0.757 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -97.88 48.9 1.44 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.649 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -83.12 -172.66 4.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 0.742 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.27 125.78 19.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.411 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.486 ' NE2' ' HG3' ' A' ' 108' ' ' PRO . 19.8 t60 -59.6 94.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.578 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.76 68.58 79.07 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.563 ' HB3' HD21 ' A' ' 112' ' ' LEU . 18.4 Cg_endo -74.98 169.31 22.91 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.481 1.78 . . . . 0.0 111.03 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.556 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -75.04 -17.22 20.34 Favored 'Cis proline' 0 C--N 1.361 1.186 0 C-N-CA 120.946 -2.523 . . . . 0.0 110.98 0.053 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.678 ' O ' HG23 ' A' ' 95' ' ' VAL . 40.7 p -55.38 -88.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.437 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -72.12 147.68 46.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.681 HD11 ' HE2' ' A' ' 87' ' ' PHE . 16.9 mt -144.4 165.16 28.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 72.0 t -135.09 123.75 40.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.472 ' CD2' ' HB2' ' A' ' 117' ' ' GLN . 5.1 t90 -85.33 93.05 8.62 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -77.89 -37.6 47.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -52.3 -43.18 64.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.472 ' HB2' ' CD2' ' A' ' 114' ' ' TRP . 1.2 mm100 -105.26 175.01 5.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 110.274 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -114.91 -16.08 11.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 8.9 t -174.47 144.79 0.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.411 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.554 ' CE2' ' CG2' ' A' ' 52' ' ' VAL . 77.5 m95 -60.25 -17.96 45.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 107.988 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 103.54 163.02 25.26 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.49 ' HA ' ' CD2' ' A' ' 126' ' ' LEU . 1.2 p -159.07 -178.64 7.37 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 125' ' ' SER . . . 131.63 42.72 0.18 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.53 1.144 . . . . 0.0 110.944 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.452 ' CB ' ' HB3' ' A' ' 145' ' ' ARG . 0.1 OUTLIER 67.6 -65.93 0.22 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 0.764 . . . . 0.0 110.049 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 123' ' ' GLY . 22.4 p -76.42 122.84 25.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.997 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.49 ' CD2' ' HA ' ' A' ' 122' ' ' CYS . 0.7 OUTLIER -140.78 146.62 37.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 39.9 ttt180 -148.86 96.28 2.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.28 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 52.1 m -95.46 153.41 17.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 110.399 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 70' ' ' ARG . . . -158.85 156.35 29.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.776 HD23 ' CG2' ' A' ' 138' ' ' VAL . 13.3 tp -116.88 127.98 54.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.474 ' O ' ' N ' ' A' ' 68' ' ' GLN . 18.0 mm -115.92 113.52 43.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . 0.777 HD22 HG13 ' A' ' 138' ' ' VAL . 0.9 OUTLIER -63.29 178.55 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 132' ' ' ASN . 0.0 OUTLIER -35.88 -50.0 0.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.965 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 136' ' ' GLU . 10.7 p -83.52 159.8 21.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 110.399 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -68.42 60.02 0.44 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.473 1.108 . . . . 0.0 110.957 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . 0.452 ' O ' ' ND2' ' A' ' 132' ' ' ASN . 20.1 tt0 -137.65 142.11 41.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.761 . . . . 0.0 110.257 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.457 ' HA ' ' O ' ' A' ' 130' ' ' LEU . 6.8 tt0 -90.71 140.03 30.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.259 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.777 HG13 HD22 ' A' ' 132' ' ' ASN . 2.9 m -109.04 -39.74 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.36 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -143.59 159.53 42.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 15.0 ptm -145.66 140.13 27.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.981 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 18.5 ttt85 -126.42 89.98 3.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . 0.472 ' O ' HD12 ' A' ' 143' ' ' LEU . 75.0 tttt -82.14 150.19 27.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.713 HD22 ' HB3' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -157.0 116.82 3.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 12.2 t -126.88 127.02 69.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . 0.452 ' HB3' ' CB ' ' A' ' 124' ' ' SER . 71.5 ttt180 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.302 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.624 ' CD2' ' HB3' ' A' ' 142' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.494 ' CB ' ' HA ' ' A' ' 141' ' ' ARG . . . -129.7 163.8 25.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -143.81 112.45 6.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 110.285 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -92.51 147.51 22.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.424 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.4 OUTLIER -155.68 81.76 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.038 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.9 -144.21 9.87 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.8 mtm-85 -97.75 -36.6 10.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 0.736 . . . . 0.0 110.333 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.578 HG22 ' OD1' ' A' ' 56' ' ' ASN . 95.5 t -95.39 160.34 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.723 ' HB3' ' HD3' ' A' ' 57' ' ' LYS . . . -147.33 153.4 39.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.509 ' CG1' HG23 ' A' ' 45' ' ' VAL . 13.6 t -78.74 88.56 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.22 -60.96 0.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.332 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -168.17 133.48 1.82 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.841 HG22 HG13 ' A' ' 52' ' ' VAL . 7.1 t -120.13 109.73 26.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -44.71 115.1 0.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.524 ' O ' HD13 ' A' ' 126' ' ' LEU . 6.2 pt-20 -58.86 -35.79 73.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 110.302 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.99 -28.43 67.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.05 67.04 1.26 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.525 1.141 . . . . 0.0 111.01 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.467 ' HD2' ' CB ' ' A' ' 102' ' ' ALA . 0.1 OUTLIER -123.04 -52.25 1.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 0.808 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.573 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 27.5 p90 -144.13 156.71 44.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.841 HG13 HG22 ' A' ' 45' ' ' VAL . 44.8 t -118.24 114.61 45.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.16 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.533 ' HG3' HG23 ' A' ' 96' ' ' THR . 0.2 OUTLIER -97.27 128.22 43.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.247 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.414 HD11 HD13 ' A' ' 69' ' ' ILE . 6.6 mt -126.33 131.14 51.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -120.69 147.85 44.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.297 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.578 ' OD1' HG22 ' A' ' 40' ' ' VAL . 17.2 t-20 -98.47 109.88 22.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.723 ' HD3' ' HB3' ' A' ' 41' ' ' ALA . 0.8 OUTLIER -76.4 -36.25 58.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 84.0 p -59.16 153.79 17.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.022 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.43 ' HA ' ' HB1' ' A' ' 91' ' ' ALA . 0.5 OUTLIER -98.41 27.89 4.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.123 . . . . 0.0 109.274 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.433 ' C ' ' HB2' ' A' ' 91' ' ' ALA . 8.6 mm-40 -134.64 133.47 40.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -54.99 115.42 2.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.08 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.424 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 73.4 tp60 -100.52 118.89 37.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.34 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.64 145.06 43.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 109.965 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.442 ' HA ' ' CD1' ' A' ' 67' ' ' TRP . 0.3 OUTLIER -133.01 34.5 3.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.954 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.496 ' CA ' ' HA ' ' A' ' 85' ' ' PRO . . . -78.82 56.57 4.26 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER 158.04 -26.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 0.729 . . . . 0.0 109.352 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.442 ' CD1' ' HA ' ' A' ' 64' ' ' MET . 13.7 m0 -44.09 162.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 108.007 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -146.12 170.0 17.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.295 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 1.067 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 4.6 mt -132.34 118.28 35.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.43 ' NE ' HD21 ' A' ' 78' ' ' LEU . 0.3 OUTLIER -97.65 128.61 44.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.575 1.172 . . . . 0.0 110.268 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -131.06 121.38 24.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.489 ' HB2' HD13 ' A' ' 78' ' ' LEU . 0.8 OUTLIER -129.52 115.37 17.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.444 ' ND2' ' C ' ' A' ' 121' ' ' GLY . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.489 HD13 ' HB2' ' A' ' 72' ' ' GLN . 10.0 tp . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.422 ' N ' HD12 ' A' ' 78' ' ' LEU . 0.3 OUTLIER -108.83 126.23 52.82 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.407 HG23 ' HG3' ' A' ' 70' ' ' ARG . 56.4 m -114.52 100.63 8.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.356 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.514 ' HB2' ' CH2' ' A' ' 114' ' ' TRP . 60.5 t80 -82.57 98.96 9.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -76.8 124.67 28.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 1.067 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 13.7 m-85 -68.68 167.85 17.45 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.418 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 18.3 Cg_endo -74.94 146.51 33.0 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.484 1.781 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.496 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.4 Cg_endo -74.97 11.61 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.536 1.809 . . . . 0.0 111.033 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.404 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.3 OUTLIER -132.83 47.54 2.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.487 ' HZ ' HG21 ' A' ' 95' ' ' VAL . 19.6 t80 -128.55 147.85 50.73 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.1 m -147.39 112.66 5.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 110.429 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 47.8 tp -84.06 98.09 9.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -49.59 170.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.433 ' HB2' ' C ' ' A' ' 60' ' ' GLU . . . -82.75 134.5 35.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 71.69 6.08 62.13 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -89.63 174.57 7.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 0.768 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 11.3 p -142.15 157.23 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 110' ' ' THR . 14.4 p -142.56 148.63 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.533 HG23 ' HG3' ' A' ' 53' ' ' ARG . 2.9 m -122.75 130.5 53.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.391 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.511 HD12 ' O ' ' A' ' 52' ' ' VAL . 4.6 mp -116.09 80.85 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.611 ' CG ' ' CB ' ' A' ' 104' ' ' ALA . 34.8 m95 -67.05 162.91 21.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 107.979 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.442 ' HB1' ' HA ' ' A' ' 119' ' ' THR . . . -107.94 145.11 34.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.2 t -38.83 -57.99 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -43.59 -53.45 6.06 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.467 ' CB ' ' HD2' ' A' ' 50' ' ' LYS . . . -54.83 148.05 13.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 0.754 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -88.46 42.68 3.08 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.531 1.145 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.611 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -76.99 174.61 10.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -125.69 116.02 21.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 110.396 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -53.26 111.5 0.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.589 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.494 ' CB ' ' HB2' ' A' ' 111' ' ' ASP . 0.2 OUTLIER -144.28 68.66 15.55 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.011 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.544 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.2 Cg_endo -74.97 169.76 21.91 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.514 1.797 . . . . 0.0 110.979 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.544 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -74.95 -10.11 23.97 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.041 -2.483 . . . . 0.0 110.998 -0.051 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.649 ' O ' HG23 ' A' ' 95' ' ' VAL . 34.4 p -60.96 -82.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.403 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.494 ' HB2' ' CB ' ' A' ' 107' ' ' SER . 77.9 m-20 -73.08 146.07 46.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.095 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.469 ' CD2' ' HB3' ' A' ' 108' ' ' PRO . 13.4 mt -143.92 149.07 36.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.336 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 53.9 t -122.13 117.61 52.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.571 ' HE1' ' HB3' ' A' ' 116' ' ' ALA . 6.4 t90 -79.45 99.08 7.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 108.017 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -80.78 -44.39 18.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.571 ' HB3' ' HE1' ' A' ' 114' ' ' TRP . . . -43.47 -43.84 5.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.486 ' HB2' ' CD2' ' A' ' 114' ' ' TRP . 0.9 OUTLIER -100.22 176.02 5.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.305 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -114.85 -20.39 10.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.442 ' HA ' ' HB1' ' A' ' 99' ' ' ALA . 9.1 t -170.22 156.93 6.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.42 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.406 ' CE2' HG23 ' A' ' 52' ' ' VAL . 61.3 m95 -75.16 -21.9 58.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 108.008 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . 0.444 ' C ' ' ND2' ' A' ' 73' ' ' ASN . . . 108.61 145.94 11.71 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 6.0 p -118.05 -172.04 2.18 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 124.75 140.99 5.59 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 24.1 p -43.06 -46.91 5.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 109.996 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.0 m -100.41 127.12 46.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.143 . . . . 0.0 109.971 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.524 HD13 ' O ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -134.53 146.08 49.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -143.3 122.8 13.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 23.0 m -120.39 163.48 17.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.421 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -158.44 153.44 25.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.251 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.453 HD23 HG23 ' A' ' 138' ' ' VAL . 13.3 tp -120.82 131.0 54.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.417 HD13 ' HA ' ' A' ' 137' ' ' GLU . 12.7 mm -112.6 147.25 16.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . 0.656 ' OD1' HG22 ' A' ' 134' ' ' THR . 7.2 p30 -101.44 -170.16 1.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 132' ' ' ASN . 6.9 p -34.28 -60.08 0.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.996 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.656 HG22 ' OD1' ' A' ' 132' ' ' ASN . 2.3 t -83.13 162.31 21.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 110.356 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -68.29 59.46 0.42 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.451 1.094 . . . . 0.0 111.004 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . 0.448 ' HB3' HG23 ' A' ' 134' ' ' THR . 20.9 tt0 -133.54 141.23 47.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 0.775 . . . . 0.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.433 ' HG2' ' N ' ' A' ' 138' ' ' VAL . 1.9 tt0 -87.68 141.94 28.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 37' ' ' SER . 3.3 m -109.62 -36.46 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -150.32 158.21 43.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 19.2 ptm -145.11 137.46 25.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.494 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 18.8 ttm-85 -118.17 117.61 29.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.253 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . 0.624 ' HB3' ' CD2' ' A' ' 33' ' ' HIS . 10.5 tttt -108.13 131.64 54.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.501 HD12 ' HB3' ' A' ' 47' ' ' GLU . 1.0 OUTLIER -128.13 107.3 9.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 2.4 t -115.51 133.27 62.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 44.5 ttt180 . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 -179.977 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.492 ' HB2' ' HG3' ' A' ' 141' ' ' ARG . . . -103.97 151.86 22.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.0 mmt85 -153.91 117.27 4.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.252 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.485 HG21 ' HB2' ' A' ' 41' ' ' ALA . 0.9 OUTLIER -96.06 148.18 22.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.36 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 138' ' ' VAL . 5.6 m -156.25 82.11 0.99 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.95 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 164.62 -145.06 9.91 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -94.65 -39.41 10.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 0.793 . . . . 0.0 110.316 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.694 ' CG2' HD23 ' A' ' 89' ' ' LEU . 48.8 t -97.71 165.04 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.485 ' HB2' HG21 ' A' ' 36' ' ' THR . . . -145.41 158.06 43.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.457 ' CG1' HG23 ' A' ' 45' ' ' VAL . 20.6 t -82.72 85.15 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.245 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -39.6 -69.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.239 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -156.74 130.93 8.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.279 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.837 HG22 HG13 ' A' ' 52' ' ' VAL . 10.9 t -120.61 106.15 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.58 110.71 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.564 ' HB3' HD22 ' A' ' 143' ' ' LEU . 7.5 pt-20 -56.8 -36.81 70.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.326 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -58.81 -16.53 17.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.42 58.47 3.11 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.468 1.105 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.0 mtmm -111.26 -46.81 3.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 0.781 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.548 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 49.6 p90 -156.89 155.43 31.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 110.983 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.837 HG13 HG22 ' A' ' 45' ' ' VAL . 34.2 t -116.7 112.98 41.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.506 ' CG ' ' OG1' ' A' ' 96' ' ' THR . 0.0 OUTLIER -101.78 126.56 48.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.312 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.8 mt -121.64 134.54 54.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.348 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -121.37 150.25 41.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 110.263 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 58' ' ' SER . 31.6 t-20 -93.82 142.91 26.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -112.37 -32.31 6.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.25 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.47 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 1.4 t -61.1 169.78 1.9 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.546 1.153 . . . . 0.0 110.02 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.505 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 2.5 p30 -94.71 -26.12 16.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -97.92 136.9 37.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -42.71 157.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.678 ' HG3' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -119.26 100.6 7.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.279 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.489 ' N ' ' NE2' ' A' ' 62' ' ' GLN . 5.8 p -64.36 113.59 3.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.037 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -110.34 45.28 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.487 ' CA ' ' HA ' ' A' ' 85' ' ' PRO . . . -86.88 54.29 4.57 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER 157.77 -26.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 0.797 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.461 ' CE2' ' OE1' ' A' ' 62' ' ' GLN . 11.5 m0 -44.04 163.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 107.973 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.519 ' O ' HD12 ' A' ' 130' ' ' LEU . 7.6 mt-30 -147.82 171.92 14.96 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.894 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 4.2 mt -131.7 121.21 47.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.09 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.711 ' HB2' ' HB3' ' A' ' 129' ' ' ALA . 3.9 mtp85 -93.63 145.38 24.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.329 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.42 ' NH1' ' OG1' ' A' ' 128' ' ' THR . 0.1 OUTLIER -145.07 107.25 4.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -115.72 96.2 5.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 14.9 tp . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.1 mpp? -116.22 157.09 25.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.964 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 73.0 m -140.93 114.41 8.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.427 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.445 ' CD2' HD12 ' A' ' 69' ' ' ILE . 86.4 t80 -93.05 98.02 11.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.31 123.63 27.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.894 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 15.2 m-85 -69.94 166.43 32.83 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.988 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.473 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.3 Cg_endo -75.01 146.1 32.19 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.492 1.785 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.487 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.5 Cg_endo -74.97 18.27 0.54 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.477 1.777 . . . . 0.0 111.024 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.473 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.0 OUTLIER -140.34 43.38 1.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -123.39 149.16 45.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 m -149.4 112.68 4.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.428 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.694 HD23 ' CG2' ' A' ' 40' ' ' VAL . 44.6 tp -86.39 93.48 9.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -45.17 166.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 59' ' ' ASN . . . -79.46 135.85 36.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.33 3.02 64.49 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -88.02 175.3 7.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 0.0 110.247 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.441 HG22 HH11 ' A' ' 53' ' ' ARG . 11.9 p -145.91 154.07 13.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.538 1.149 . . . . 0.0 109.254 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 110' ' ' THR . 8.6 p -141.2 146.39 23.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.506 ' OG1' ' CG ' ' A' ' 53' ' ' ARG . 93.0 m -120.0 131.68 55.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 110.415 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.483 HD12 ' O ' ' A' ' 52' ' ' VAL . 4.6 mp -117.54 79.89 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.548 ' CE3' ' HB3' ' A' ' 51' ' ' PHE . 43.7 m95 -64.17 164.85 10.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 108.008 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 100' ' ' SER . . . -109.89 144.42 38.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 99' ' ' ALA . 3.3 t -37.5 -59.31 0.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.994 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 118' ' ' ASN . . . -37.34 -65.77 0.59 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 111.034 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.5 150.56 1.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 0.754 . . . . 0.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -91.21 45.89 2.83 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.447 1.092 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.438 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -74.25 -177.95 3.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 0.763 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.49 115.77 16.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.447 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.45 ' CE1' HD23 ' A' ' 112' ' ' LEU . 11.5 t60 -55.03 109.72 0.56 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.614 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.488 ' CB ' ' HB2' ' A' ' 111' ' ' ASP . 0.3 OUTLIER -141.62 68.02 24.69 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.045 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.543 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.2 Cg_endo -75.01 169.25 23.03 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.504 1.791 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.543 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -75.04 -13.14 23.89 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 120.981 -2.508 . . . . 0.0 111.028 0.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.715 ' O ' HG23 ' A' ' 95' ' ' VAL . 44.8 p -57.37 -80.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.398 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.503 ' N ' ' OG1' ' A' ' 110' ' ' THR . 37.2 m-20 -75.78 148.15 38.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.476 ' CD2' ' HB3' ' A' ' 108' ' ' PRO . 36.9 mt -145.32 148.77 33.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 49.5 t -123.32 119.63 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.325 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.565 ' NE1' ' HB3' ' A' ' 116' ' ' ALA . 7.2 t90 -81.69 98.23 8.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 107.955 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -78.73 -45.9 20.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.565 ' HB3' ' NE1' ' A' ' 114' ' ' TRP . . . -40.06 -52.81 2.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.498 ' HB2' ' CD2' ' A' ' 114' ' ' TRP . 0.8 OUTLIER -91.84 175.86 6.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.117 . . . . 0.0 110.284 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 101' ' ' GLY . 3.8 p30 -114.36 -26.54 7.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 11.6 t -164.4 134.5 4.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.152 . . . . 0.0 110.438 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 50.6 m95 -50.81 -36.65 38.28 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 119.74 137.67 5.53 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.536 1.147 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.578 ' C ' HD21 ' A' ' 126' ' ' LEU . 27.7 p -113.49 -157.71 0.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 109.46 152.92 14.68 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 55.2 p -55.42 -42.56 74.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 110.026 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 6.5 m -96.23 119.14 34.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.978 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.578 HD21 ' C ' ' A' ' 122' ' ' CYS . 0.5 OUTLIER -135.72 145.63 46.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -150.36 112.37 4.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.333 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.42 ' OG1' ' NH1' ' A' ' 71' ' ' ARG . 36.7 m -111.17 151.35 28.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.422 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.711 ' HB3' ' HB2' ' A' ' 70' ' ' ARG . . . -146.42 162.46 38.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.519 HD12 ' O ' ' A' ' 68' ' ' GLN . 12.5 tp -127.78 130.17 48.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.599 HG23 ' O ' ' A' ' 136' ' ' GLU . 20.0 mm -105.74 154.05 7.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . 0.709 ' CG ' HG13 ' A' ' 138' ' ' VAL . 0.0 OUTLIER -110.51 -170.73 1.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 132' ' ' ASN . 24.1 p -36.49 -54.58 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.984 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 57.2 p -85.03 161.94 19.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 110.37 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -69.16 57.66 0.59 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.436 1.085 . . . . 0.0 111.027 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . 0.599 ' O ' HG23 ' A' ' 131' ' ' ILE . 21.1 tt0 -137.82 156.75 47.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.767 . . . . 0.0 110.356 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.448 ' N ' ' CG ' ' A' ' 136' ' ' GLU . 13.0 tt0 -95.36 136.19 36.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 110.272 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.709 HG13 ' CG ' ' A' ' 132' ' ' ASN . 1.9 m -111.41 -17.98 7.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -154.27 157.38 38.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 14.0 ptm -149.38 154.2 38.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.083 . . . . 0.0 111.005 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.492 ' HG3' ' HB2' ' A' ' 34' ' ' ALA . 13.7 ttm-85 -147.32 86.02 1.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.335 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 33.0 tttt -81.84 155.57 25.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.438 1.087 . . . . 0.0 109.287 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.564 HD22 ' HB3' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -158.13 111.84 2.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 3.9 t -122.36 124.37 70.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.977 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.473 ' CB ' ' HA ' ' A' ' 141' ' ' ARG . . . -108.84 145.08 35.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.361 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.2 mmt85 -137.69 109.07 6.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.316 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.22 148.33 28.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.429 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 138' ' ' VAL . 1.3 m -155.81 81.96 1.02 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.435 1.085 . . . . 0.0 110.014 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.37 -134.16 3.63 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.583 1.177 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -106.49 -41.15 5.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 0.779 . . . . 0.0 110.336 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.537 HG23 ' HG2' ' A' ' 62' ' ' GLN . 97.7 t -94.19 152.0 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.84 145.8 42.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.353 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.57 ' CG1' HG23 ' A' ' 45' ' ' VAL . 47.2 t -72.66 86.1 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 42' ' ' VAL . 0.1 OUTLIER -37.24 -65.53 0.3 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -162.16 134.57 5.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.329 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.84 HG22 HG13 ' A' ' 52' ' ' VAL . 7.5 t -120.8 106.42 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -42.49 106.93 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.446 ' O ' ' CD1' ' A' ' 126' ' ' LEU . 7.9 pt-20 -52.57 -40.66 62.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 110.267 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -54.34 -30.74 52.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 110.302 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.55 80.78 1.42 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.3 mtmt -139.59 -54.57 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 0.762 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.559 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 29.9 p90 -141.98 154.86 45.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.84 HG13 HG22 ' A' ' 45' ' ' VAL . 42.4 t -117.66 114.98 47.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.92 121.66 39.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.703 HD11 HD13 ' A' ' 69' ' ' ILE . 7.3 mt -119.34 131.38 55.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.429 ' NE ' ' HE2' ' A' ' 57' ' ' LYS . 0.3 OUTLIER -125.13 146.25 49.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -96.13 136.22 36.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.429 ' HE2' ' NE ' ' A' ' 55' ' ' ARG . 3.4 mmtt -105.12 -22.49 13.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.606 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 57.6 p -64.19 160.45 18.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.465 ' C ' ' CB ' ' A' ' 91' ' ' ALA . 2.9 t30 -88.05 -22.96 23.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -102.06 137.49 40.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -52.26 129.63 28.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.537 ' HG2' HG23 ' A' ' 40' ' ' VAL . 40.1 tp60 -99.26 114.92 28.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.9 t -76.63 120.92 22.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.995 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.564 ' HA ' ' CG ' ' A' ' 67' ' ' TRP . 20.1 mtp -100.86 44.22 1.02 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.472 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -77.63 114.2 3.94 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.5 OUTLIER 80.09 8.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 0.787 . . . . 0.0 109.278 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.564 ' CG ' ' HA ' ' A' ' 64' ' ' MET . 10.7 m0 -70.18 167.77 17.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 107.97 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.513 ' O ' HD12 ' A' ' 130' ' ' LEU . 2.7 mt-30 -148.61 169.1 21.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.283 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.96 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 2.0 mt -137.56 110.24 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 129' ' ' ALA . 0.7 OUTLIER -78.48 147.21 34.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 110.298 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.632 ' O ' HD12 ' A' ' 78' ' ' LEU . 5.0 tpp180 -149.79 118.82 6.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.326 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.423 ' HB2' HD13 ' A' ' 78' ' ' LEU . 8.0 tm0? -126.53 141.35 51.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.369 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.632 HD12 ' O ' ' A' ' 71' ' ' ARG . 7.3 tp . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -107.04 152.01 24.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 93.7 m -135.0 102.09 5.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.404 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -72.76 105.9 4.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 111.026 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -82.33 141.4 32.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.26 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.96 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 14.0 m-85 -92.81 168.85 11.57 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.514 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.2 Cg_endo -75.0 152.55 40.88 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.537 1.809 . . . . 0.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 30.19 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.431 1.753 . . . . 0.0 111.022 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.514 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.0 OUTLIER -166.05 59.91 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.41 ' HZ ' HG21 ' A' ' 95' ' ' VAL . 25.4 t80 -127.34 126.04 41.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.61 139.87 52.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.386 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.453 HD23 ' CG2' ' A' ' 40' ' ' VAL . 43.7 tp -118.27 91.14 3.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 89' ' ' LEU . 33.2 mtmt -42.91 165.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.606 ' HB1' ' O ' ' A' ' 58' ' ' SER . . . -81.72 133.93 35.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.22 6.08 85.92 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.431 1.082 . . . . 0.0 111.059 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -90.91 173.12 8.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 0.769 . . . . 0.0 110.356 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.0 p -141.22 158.78 22.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 110' ' ' THR . 9.6 p -143.06 149.01 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 112' ' ' LEU . 1.6 m -122.79 128.61 50.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.381 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.641 HD12 ' O ' ' A' ' 52' ' ' VAL . 4.0 mp -115.46 82.18 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.569 ' CG ' ' CB ' ' A' ' 104' ' ' ALA . 46.0 m95 -68.4 163.8 22.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 108.013 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 100' ' ' SER . . . -111.21 143.02 42.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 99' ' ' ALA . 3.6 t -37.57 -51.04 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.987 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 118' ' ' ASN . . . -83.4 59.61 4.96 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -137.66 -47.66 0.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 0.74 . . . . 0.0 109.298 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 103.71 20.4 10.85 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.529 1.143 . . . . 0.0 111.042 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.569 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -80.32 -171.04 2.81 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 0.763 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -134.46 122.25 22.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.442 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.463 ' NE2' ' HG3' ' A' ' 108' ' ' PRO . 22.3 t60 -56.75 93.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.593 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 111' ' ' ASP . 0.5 OUTLIER -125.26 72.68 66.03 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.03 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.564 ' HB3' HD21 ' A' ' 112' ' ' LEU . 18.2 Cg_endo -74.97 169.33 22.86 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.53 1.805 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.552 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.5 Cg_endo -74.91 -23.2 12.89 Favored 'Cis proline' 0 C--N 1.361 1.21 0 C-N-CA 121.009 -2.496 . . . . 0.0 111.01 -0.09 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.72 ' O ' HG23 ' A' ' 95' ' ' VAL . 42.7 p -53.87 -90.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.427 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 107' ' ' SER . 5.6 m-20 -63.72 142.1 58.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.564 HD21 ' HB3' ' A' ' 108' ' ' PRO . 17.0 mt -144.1 164.63 30.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 57.3 t -133.16 126.47 53.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.444 ' NE1' ' HB3' ' A' ' 116' ' ' ALA . 6.7 t90 -89.39 95.39 10.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 108.038 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 116' ' ' ALA . 20.1 mtpt -77.6 -47.22 19.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.444 ' HB3' ' NE1' ' A' ' 114' ' ' TRP . . . -39.83 -43.93 1.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.356 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.402 ' HB2' ' CE2' ' A' ' 114' ' ' TRP . 1.1 mm100 -104.08 176.03 5.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.42 ' O ' ' N ' ' A' ' 101' ' ' GLY . 3.8 p30 -114.2 -20.67 10.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 12.1 t -169.44 136.02 1.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.378 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.651 ' CE2' ' CG2' ' A' ' 52' ' ' VAL . 59.7 m95 -48.55 -40.11 25.9 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 126.76 142.76 5.7 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 2.3 p -114.59 -172.69 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 129.88 139.39 4.57 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 9.6 p -42.77 -34.47 0.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 0.0 109.995 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -121.47 134.92 55.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 110.026 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.446 ' CD1' ' O ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -135.06 150.47 50.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 1.6 ttp85 -139.77 105.92 5.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 24.1 m -107.38 159.52 16.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 110.423 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 70' ' ' ARG . . . -159.51 160.42 34.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.235 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.61 HD23 HG23 ' A' ' 138' ' ' VAL . 12.7 tp -123.97 133.03 53.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.522 HD13 ' HA ' ' A' ' 137' ' ' GLU . 13.6 mm -116.42 147.79 19.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . 0.8 ' OD1' HG22 ' A' ' 134' ' ' THR . 7.8 p30 -100.53 -171.41 2.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 132' ' ' ASN . 24.0 p -36.05 -58.63 0.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.8 HG22 ' OD1' ' A' ' 132' ' ' ASN . 2.8 t -81.48 160.25 24.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.385 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -67.93 60.94 0.36 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 134' ' ' THR . 18.1 tt0 -137.56 139.51 40.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 0.0 110.3 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.522 ' HA ' HD13 ' A' ' 131' ' ' ILE . 24.6 tt0 -84.84 147.39 26.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.25 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.61 HG23 HD23 ' A' ' 130' ' ' LEU . 2.7 m -115.12 -36.25 2.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -144.07 157.51 44.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 14.1 ptm -138.38 146.5 42.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.473 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 25.9 ttm-85 -137.71 103.76 5.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.148 . . . . 0.0 110.234 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . 0.526 ' O ' HD22 ' A' ' 143' ' ' LEU . 15.1 tttt -106.03 131.95 52.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.115 . . . . 0.0 109.322 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.526 HD22 ' O ' ' A' ' 142' ' ' LYS . 1.1 mm? -121.56 119.55 32.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.346 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 3.3 t -115.95 137.82 48.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.306 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.561 ' HB2' ' HG3' ' A' ' 141' ' ' ARG . . . -100.36 161.71 13.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.87 106.33 1.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.0 149.25 26.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.395 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.2 OUTLIER -156.17 82.14 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.044 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 157.88 -137.47 5.32 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.548 1.155 . . . . 0.0 111.021 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.455 ' CG ' ' HB3' ' A' ' 58' ' ' SER . 5.1 mtm-85 -103.6 -38.27 7.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 0.753 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.559 HG23 ' HG2' ' A' ' 62' ' ' GLN . 65.6 t -92.52 160.97 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.419 ' N ' HG12 ' A' ' 40' ' ' VAL . . . -148.59 145.57 27.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.655 ' CG1' HG23 ' A' ' 45' ' ' VAL . 24.7 t -75.15 85.52 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.07 -62.03 0.69 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.343 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -163.63 132.33 3.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 110.319 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.872 HG22 HG13 ' A' ' 52' ' ' VAL . 6.8 t -119.71 102.78 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -44.12 109.18 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -56.14 -32.73 64.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -56.86 -35.05 68.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.92 64.22 0.99 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -124.01 -52.32 1.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 0.752 . . . . 0.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.568 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 33.1 p90 -146.17 156.11 43.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.872 HG13 HG22 ' A' ' 45' ' ' VAL . 25.2 t -119.1 114.99 46.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.89 125.76 40.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.337 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.62 HD11 HD13 ' A' ' 69' ' ' ILE . 5.7 mt -124.81 126.91 46.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.483 ' CG ' HG22 ' A' ' 94' ' ' VAL . 28.0 ttp180 -119.05 147.06 44.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.266 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -93.25 136.74 33.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -103.26 -24.84 13.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.455 ' HB3' ' CG ' ' A' ' 39' ' ' ARG . 56.0 p -61.92 168.7 2.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.022 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.494 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 1.9 p30 -100.62 -26.5 13.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -93.62 131.99 38.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -44.37 117.99 1.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.559 ' HG2' HG23 ' A' ' 40' ' ' VAL . 63.2 tp60 -84.39 158.53 21.07 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.445 1.091 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.528 ' H ' ' NE2' ' A' ' 62' ' ' GLN . 35.6 t -124.64 121.95 36.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.024 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.588 ' HA ' ' CG ' ' A' ' 67' ' ' TRP . 13.6 mtp -106.05 46.24 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 111.011 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -78.98 113.07 3.59 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER 81.46 5.88 1.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 0.757 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.588 ' CG ' ' HA ' ' A' ' 64' ' ' MET . 11.7 m0 -66.64 167.15 11.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 108.025 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -147.46 168.51 21.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.317 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.993 HD11 ' CE2' ' A' ' 83' ' ' PHE . 2.1 mt -135.77 111.69 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.452 ' HB2' ' HB3' ' A' ' 129' ' ' ALA . 26.5 mtt-85 -83.12 140.91 32.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.345 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.446 ' HB3' ' CG ' ' A' ' 79' ' ' MET . 0.7 OUTLIER -143.48 116.2 8.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.3 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.421 ' CG ' ' HG ' ' A' ' 78' ' ' LEU . 10.2 tm0? -129.72 134.22 47.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.414 ' ND2' ' HA3' ' A' ' 121' ' ' GLY . 4.5 p30 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.623 HD23 ' N ' ' A' ' 79' ' ' MET . 1.4 tt . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.623 ' N ' HD23 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -114.1 155.7 25.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.985 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 69' ' ' ILE . 52.6 m -144.55 101.28 3.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.397 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -74.39 106.74 6.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 111.034 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -80.92 147.74 30.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 110.278 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.993 ' CE2' HD11 ' A' ' 69' ' ' ILE . 11.0 m-85 -102.3 170.02 6.88 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 111.047 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 18.2 Cg_endo -75.02 153.33 41.58 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.485 1.782 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 84' ' ' PRO . 18.4 Cg_endo -74.99 6.1 3.59 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.4 mmmt -140.16 66.37 1.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.468 ' HZ ' HG21 ' A' ' 95' ' ' VAL . 25.0 t80 -130.28 122.59 28.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -118.87 120.31 36.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.402 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 62' ' ' GLN . 58.9 tp -99.75 90.54 4.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -40.49 159.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 59' ' ' ASN . . . -75.97 133.38 40.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.346 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 76.66 3.83 79.87 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.3 -179.04 6.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.483 HG22 ' CG ' ' A' ' 55' ' ' ARG . 17.2 t -151.71 144.51 16.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 110' ' ' THR . 1.9 p -130.16 140.35 49.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 109.331 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 112' ' ' LEU . 1.3 m -111.96 132.99 54.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 110.388 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.514 ' N ' HD12 ' A' ' 97' ' ' ILE . 4.6 mp -117.27 81.61 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.601 ' CB ' ' CB ' ' A' ' 104' ' ' ALA . 31.1 m95 -71.44 163.18 28.19 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 100' ' ' SER . . . -104.36 146.07 29.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.36 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 99' ' ' ALA . 2.5 t -37.98 -37.09 0.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.0 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -110.42 71.65 0.21 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -151.65 23.06 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 0.792 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 42.54 41.1 4.04 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.511 1.132 . . . . 0.0 111.019 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.601 ' CB ' ' CB ' ' A' ' 98' ' ' TRP . . . -99.33 -171.23 2.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 0.746 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -146.66 120.58 9.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.368 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.486 ' NE2' ' HG3' ' A' ' 108' ' ' PRO . 21.7 t60 -56.81 94.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.617 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 111' ' ' ASP . 0.5 OUTLIER -128.61 68.98 79.11 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.979 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.574 ' HB3' HD21 ' A' ' 112' ' ' LEU . 18.3 Cg_endo -75.04 169.62 22.21 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.471 1.774 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.564 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -75.0 -13.29 23.71 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.999 -2.5 . . . . 0.0 111.058 -0.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.617 ' O ' HG23 ' A' ' 95' ' ' VAL . 37.7 p -58.27 -92.35 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 110.453 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' A' ' 112' ' ' LEU . 3.0 t0 -69.99 143.61 52.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.348 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.574 HD21 ' HB3' ' A' ' 108' ' ' PRO . 18.7 mt -139.04 164.84 28.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 72.1 t -132.09 126.54 56.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.765 ' NE1' ' HB3' ' A' ' 116' ' ' ALA . 6.7 t90 -87.77 100.11 12.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.16 . . . . 0.0 108.011 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -79.38 -37.64 36.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.36 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.765 ' HB3' ' NE1' ' A' ' 114' ' ' TRP . . . -52.06 -41.9 62.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.511 ' HB2' ' CE2' ' A' ' 114' ' ' TRP . 0.8 OUTLIER -112.89 170.81 7.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.323 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -113.4 -21.41 10.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.264 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 11.3 t -157.19 144.79 18.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.372 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.656 ' CE2' ' CG2' ' A' ' 52' ' ' VAL . 52.1 m95 -64.36 -46.71 82.23 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . 0.414 ' HA3' ' ND2' ' A' ' 73' ' ' ASN . . . 135.5 135.1 3.42 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.488 1.118 . . . . 0.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.608 ' C ' HD21 ' A' ' 126' ' ' LEU . 22.0 p -110.34 -156.18 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 110.17 159.68 17.53 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.48 1.112 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 145' ' ' ARG . 91.0 p -58.99 -55.09 39.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.773 . . . . 0.0 109.946 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.904 ' HA ' HG23 ' A' ' 144' ' ' VAL . 16.5 p -94.1 127.46 39.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.977 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.608 HD21 ' C ' ' A' ' 122' ' ' CYS . 0.6 OUTLIER -136.38 158.27 44.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -160.29 123.34 3.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 15.9 m -121.04 162.32 20.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.354 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.452 ' HB3' ' HB2' ' A' ' 70' ' ' ARG . . . -158.58 156.31 29.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.507 HD23 HG23 ' A' ' 138' ' ' VAL . 13.2 tp -119.48 131.35 55.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.664 HD13 ' HA ' ' A' ' 137' ' ' GLU . 18.1 mm -115.3 147.04 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.153 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . 0.76 ' OD1' HG22 ' A' ' 134' ' ' THR . 6.4 p30 -98.38 -170.97 2.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 132' ' ' ASN . 23.5 p -36.1 -58.74 0.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.029 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.76 HG22 ' OD1' ' A' ' 132' ' ' ASN . 1.9 t -81.67 161.07 23.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.39 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -68.43 63.61 0.42 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.127 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . 0.454 ' O ' HG23 ' A' ' 131' ' ' ILE . 15.8 tt0 -139.49 137.19 35.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.756 . . . . 0.0 110.288 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.664 ' HA ' HD13 ' A' ' 131' ' ' ILE . 8.1 tt0 -84.38 141.07 31.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.327 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.507 HG23 HD23 ' A' ' 130' ' ' LEU . 2.4 m -107.84 -38.9 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -142.27 161.45 37.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -141.47 154.25 45.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.561 ' HG3' ' HB2' ' A' ' 34' ' ' ALA . 3.9 ttt85 -145.04 97.45 3.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -92.89 151.68 19.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 126' ' ' LEU . 0.3 OUTLIER -160.26 116.63 2.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.904 HG23 ' HA ' ' A' ' 125' ' ' SER . 9.9 p -128.48 151.45 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 124' ' ' SER . 32.9 ttt180 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.276 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.472 ' CB ' ' HA ' ' A' ' 141' ' ' ARG . . . -101.91 159.58 15.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -158.86 109.22 2.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.407 HG21 ' HB2' ' A' ' 41' ' ' ALA . 0.9 OUTLIER -88.59 147.68 24.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.387 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.2 OUTLIER -156.12 82.14 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.989 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 160.75 -145.14 10.66 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.419 ' CD ' ' CD ' ' A' ' 60' ' ' GLU . 10.9 mtm-85 -97.42 -40.79 8.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 0.763 . . . . 0.0 110.23 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.533 HG23 ' HG3' ' A' ' 62' ' ' GLN . 23.2 t -95.62 144.35 10.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 109.27 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.826 ' HB3' ' HD3' ' A' ' 57' ' ' LYS . . . -129.67 154.7 46.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.516 ' CG1' HG23 ' A' ' 45' ' ' VAL . 60.8 t -80.64 86.7 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 109.278 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.87 -67.89 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -158.6 132.52 7.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.261 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.831 HG22 HG13 ' A' ' 52' ' ' VAL . 8.2 t -120.27 107.36 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.93 107.48 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.666 ' HB3' HD22 ' A' ' 143' ' ' LEU . 7.1 pt-20 -56.49 -36.31 68.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -57.67 -17.95 17.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.94 64.66 1.91 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.488 1.117 . . . . 0.0 111.026 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -121.98 -47.49 2.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 0.762 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.619 ' CD2' ' CZ3' ' A' ' 98' ' ' TRP . 28.3 p90 -154.07 156.73 37.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.831 HG13 HG22 ' A' ' 45' ' ' VAL . 23.4 t -117.84 118.58 58.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.257 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.463 ' HG3' HG23 ' A' ' 96' ' ' THR . 0.2 OUTLIER -104.16 126.06 50.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.273 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.565 HD21 ' CG1' ' A' ' 52' ' ' VAL . 6.0 mt -125.5 139.55 53.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.6 ttp85 -126.48 153.93 44.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 110.273 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -99.64 99.81 10.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.348 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.826 ' HD3' ' HB3' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -68.34 -35.74 78.21 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.516 1.135 . . . . 0.0 109.36 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.405 ' CB ' ' HB3' ' A' ' 39' ' ' ARG . 15.7 t -57.55 172.27 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 110.007 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.477 ' C ' ' CB ' ' A' ' 91' ' ' ALA . 1.8 p30 -108.2 -0.8 20.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.52 ' C ' ' HB2' ' A' ' 91' ' ' ALA . 1.5 pt-20 -108.72 154.06 22.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.274 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 -64.93 136.68 57.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.61 ' OE1' ' CZ2' ' A' ' 67' ' ' TRP . 0.0 OUTLIER -112.34 102.87 10.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.524 ' N ' ' NE2' ' A' ' 62' ' ' GLN . 55.5 m -72.79 120.4 18.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.996 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -113.64 47.24 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.503 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -88.28 56.71 4.25 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.456 1.098 . . . . 0.0 111.035 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER 155.67 -24.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 0.769 . . . . 0.0 109.292 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.61 ' CZ2' ' OE1' ' A' ' 62' ' ' GLN . 11.4 m0 -42.25 161.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 107.997 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.439 ' CG ' ' C ' ' A' ' 67' ' ' TRP . 5.0 mt-30 -153.98 133.99 13.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.325 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.878 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 13.0 mt -91.83 124.26 44.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.5 mtt-85 -97.44 117.88 32.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.508 ' O ' HD12 ' A' ' 78' ' ' LEU . 9.2 tpt180 -115.03 111.53 21.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.267 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.464 ' CG ' HD13 ' A' ' 78' ' ' LEU . 5.5 tm0? -117.68 126.96 53.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.423 ' OD1' ' NE ' ' A' ' 71' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.508 HD12 ' O ' ' A' ' 71' ' ' ARG . 22.8 tp . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 51.2 mtm -113.81 152.17 31.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 69' ' ' ILE . 18.3 m -140.23 88.52 2.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.393 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.838 ' CD2' HD12 ' A' ' 69' ' ' ILE . 41.0 t80 -71.79 95.74 1.55 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -75.02 127.69 33.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.878 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 10.6 m-85 -74.29 169.05 21.07 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.414 ' O ' ' HA2' ' A' ' 65' ' ' GLY . 18.3 Cg_endo -75.03 147.89 34.43 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.496 1.788 . . . . 0.0 111.0 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.474 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.4 Cg_endo -75.0 5.15 4.15 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.457 1.767 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.407 ' N ' ' HD3' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -128.8 50.38 2.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.412 ' CZ ' HG21 ' A' ' 95' ' ' VAL . 5.7 t80 -128.23 141.76 51.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 110.948 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 m -144.1 105.72 4.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.385 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 34.8 tp -84.08 91.94 7.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -46.5 166.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.52 ' HB2' ' C ' ' A' ' 60' ' ' GLU . . . -76.15 138.18 40.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 75.35 -0.46 59.8 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 91' ' ' ALA . 0.4 OUTLIER -87.27 169.31 12.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.754 . . . . 0.0 110.289 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 54' ' ' LEU . 10.9 p -139.51 154.25 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.092 . . . . 0.0 109.322 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 110' ' ' THR . 5.9 p -141.16 136.62 33.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.463 HG23 ' HG3' ' A' ' 53' ' ' ARG . 9.3 m -113.93 132.86 55.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.405 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 4.8 mp -118.8 83.95 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.619 ' CZ3' ' CD2' ' A' ' 51' ' ' PHE . 23.7 m95 -69.33 167.42 16.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 108.056 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 101' ' ' GLY . . . -111.96 136.6 51.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.155 . . . . 0.0 109.301 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 99' ' ' ALA . 47.1 t -38.67 -30.23 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 0.0 110.031 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 99' ' ' ALA . . . -66.94 -51.63 38.54 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.467 1.104 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 99' ' ' ALA . . . -47.06 -48.99 22.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.749 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 89.27 24.47 31.4 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.434 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -59.55 -163.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 0.784 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.69 115.81 22.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.417 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -58.64 111.24 1.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.631 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.481 ' CB ' ' HB2' ' A' ' 111' ' ' ASP . 0.6 OUTLIER -143.02 68.23 17.81 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.002 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.539 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.2 Cg_endo -75.05 169.74 21.93 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.545 1.813 . . . . 0.0 110.965 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.539 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -74.99 -10.94 24.24 Favored 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 121.045 -2.481 . . . . 0.0 111.005 -0.012 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.497 ' O ' HG23 ' A' ' 95' ' ' VAL . 35.0 p -59.57 -79.26 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.432 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.481 ' HB2' ' CB ' ' A' ' 107' ' ' SER . 4.4 m-20 -76.91 143.96 39.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.496 ' CD2' ' HB3' ' A' ' 108' ' ' PRO . 8.8 mt -143.15 144.93 32.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 42.6 t -118.1 127.18 75.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.53 ' CD2' ' HB2' ' A' ' 117' ' ' GLN . 5.4 t90 -84.78 102.14 12.79 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.86 -44.22 17.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -49.58 -35.49 20.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.53 ' HB2' ' CD2' ' A' ' 114' ' ' TRP . 0.4 OUTLIER -115.4 174.31 6.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 110.297 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -136.82 15.22 3.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 1.7 t -176.5 148.46 0.73 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.378 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.44 ' O ' ' CZ ' ' A' ' 71' ' ' ARG . 43.1 m95 -92.5 15.45 14.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 108.038 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 73.38 112.19 0.07 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.507 1.129 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 11.4 p -97.4 -169.91 1.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 122.09 154.18 9.08 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.52 1.138 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 67.6 p -54.56 -42.52 71.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 0.752 . . . . 0.0 109.993 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 44.7 m -96.39 122.15 38.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.033 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.434 HD22 HH21 ' A' ' 71' ' ' ARG . 0.6 OUTLIER -137.52 150.23 47.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -153.72 104.91 2.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 110.334 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.429 HG21 HG21 ' A' ' 45' ' ' VAL . 22.0 m -101.72 152.51 20.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.364 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -152.72 156.57 39.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.553 HD21 ' HZ3' ' A' ' 67' ' ' TRP . 13.9 tp -120.2 132.4 55.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.641 HD13 ' HA ' ' A' ' 137' ' ' GLU . 24.6 mm -116.22 147.08 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . 0.56 ' HA ' ' CG ' ' A' ' 67' ' ' TRP . 10.6 p30 -99.99 -166.65 1.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.517 ' OG ' ' N ' ' A' ' 134' ' ' THR . 1.3 p -35.34 -66.04 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.99 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.517 ' N ' ' OG ' ' A' ' 133' ' ' SER . 14.6 t -79.1 162.71 25.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.376 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -67.76 62.1 0.32 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 134' ' ' THR . 12.5 tt0 -135.5 136.28 41.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 0.75 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.641 ' HA ' HD13 ' A' ' 131' ' ' ILE . 4.8 tt0 -83.28 138.62 33.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.261 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.493 HG13 HD22 ' A' ' 132' ' ' ASN . 3.4 m -110.9 -30.62 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -144.73 157.44 44.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 15.1 ptm -142.78 151.77 41.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.472 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 17.4 ttm-85 -144.65 82.31 1.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.328 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . 0.836 ' HD3' HG23 ' A' ' 144' ' ' VAL . 0.1 OUTLIER -78.37 154.58 30.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.666 HD22 ' HB3' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -161.6 118.0 2.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.836 HG23 ' HD3' ' A' ' 142' ' ' LYS . 22.1 t -128.86 128.64 67.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 110.324 179.977 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.421 ' N ' ' O ' ' A' ' 142' ' ' LYS . 67.4 m-70 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -106.94 164.0 12.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.95 106.88 0.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.59 147.74 29.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 0.0 110.432 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 138' ' ' VAL . 2.3 m -156.28 81.98 0.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.989 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.68 -142.89 8.6 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.446 1.091 . . . . 0.0 111.034 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.448 ' NH1' ' CD ' ' A' ' 60' ' ' GLU . 8.8 mtm180 -95.32 -43.34 8.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 0.78 . . . . 0.0 110.316 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.574 HG23 ' HG2' ' A' ' 62' ' ' GLN . 87.6 t -91.35 166.6 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.528 ' N ' HG12 ' A' ' 40' ' ' VAL . . . -151.48 141.95 22.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.447 ' CG1' HG23 ' A' ' 45' ' ' VAL . 30.0 t -67.83 86.99 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.99 -67.18 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.417 ' HA ' ' NH2' ' A' ' 141' ' ' ARG . 2.0 tp10 -161.64 134.47 6.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.825 HG22 HG13 ' A' ' 52' ' ' VAL . 6.5 t -119.83 109.61 26.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.525 ' OD2' ' N ' ' A' ' 49' ' ' GLY . 0.1 OUTLIER -42.91 117.55 1.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.53 ' HB3' HD22 ' A' ' 143' ' ' LEU . 5.6 pt-20 -68.56 -19.97 64.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -75.92 -12.71 60.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.525 ' N ' ' OD2' ' A' ' 46' ' ' ASP . . . 73.48 94.0 0.11 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.506 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 10.8 mtmt -158.91 -54.79 0.06 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 0.765 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.587 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 19.3 p90 -138.49 159.18 42.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.825 HG13 HG22 ' A' ' 45' ' ' VAL . 38.1 t -124.72 113.79 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.417 ' HG3' HG23 ' A' ' 96' ' ' THR . 0.0 OUTLIER -95.61 124.95 39.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.342 179.925 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.522 HD11 HD13 ' A' ' 69' ' ' ILE . 6.9 mt -123.35 132.93 54.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.412 ' HG2' ' CE ' ' A' ' 57' ' ' LYS . 17.4 ttp180 -124.04 148.06 47.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.326 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 32.6 t-20 -95.09 130.98 41.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.412 ' CE ' ' HG2' ' A' ' 55' ' ' ARG . 7.1 mmpt? -97.14 -30.27 13.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.659 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 82.6 p -61.19 154.89 22.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.441 ' C ' ' CB ' ' A' ' 91' ' ' ALA . 2.7 t30 -88.23 -15.29 36.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.565 ' C ' ' HB2' ' A' ' 91' ' ' ALA . 5.6 pt-20 -96.27 149.24 21.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -63.79 124.24 20.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.574 ' HG2' HG23 ' A' ' 40' ' ' VAL . 42.8 tp60 -100.81 118.19 36.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.1 t -80.2 140.7 36.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.986 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.539 ' HA ' ' CD1' ' A' ' 67' ' ' TRP . 56.1 mtp -126.87 29.5 5.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.508 ' CA ' ' HA ' ' A' ' 85' ' ' PRO . . . -74.95 55.16 2.64 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.491 1.119 . . . . 0.0 110.953 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER 155.67 -24.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 0.783 . . . . 0.0 109.262 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.539 ' CD1' ' HA ' ' A' ' 64' ' ' MET . 11.1 m0 -44.12 163.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 108.021 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.42 ' O ' HD12 ' A' ' 130' ' ' LEU . 11.3 mt-30 -144.22 168.51 19.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 1.126 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 6.8 mt -131.56 122.03 49.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.708 ' HB2' ' HB3' ' A' ' 129' ' ' ALA . 6.4 mtp85 -95.73 143.93 26.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.264 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -148.6 100.39 3.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.99 ' HB2' HD13 ' A' ' 78' ' ' LEU . 21.7 tm0? -117.81 126.61 52.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 121' ' ' GLY . 86.1 m-20 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.99 HD13 ' HB2' ' A' ' 72' ' ' GLN . 8.8 tp . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.422 ' N ' HD12 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -118.87 159.37 23.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.493 ' OG1' ' CZ ' ' A' ' 70' ' ' ARG . 28.9 m -145.77 105.87 4.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.39 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.502 ' HB2' ' CH2' ' A' ' 114' ' ' TRP . 61.9 t80 -87.59 111.04 20.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.113 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.6 ttp85 -88.01 120.2 29.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.331 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 1.126 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 16.4 m-85 -63.89 166.5 9.81 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.431 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.2 Cg_endo -75.04 147.72 34.13 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.496 1.787 . . . . 0.0 110.942 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.508 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.2 Cg_endo -75.03 15.19 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.465 1.771 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.431 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.3 OUTLIER -134.07 41.74 2.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -129.18 135.29 48.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.8 m -135.98 113.26 10.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.425 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 30.1 tp -87.26 97.27 10.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -51.15 167.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.659 ' HB1' ' O ' ' A' ' 58' ' ' SER . . . -78.22 136.07 37.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 75.87 2.65 71.59 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' A' ' 91' ' ' ALA . 0.9 OUTLIER -88.8 170.94 10.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 0.736 . . . . 0.0 110.285 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 13.3 p -139.5 158.45 27.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 110' ' ' THR . 7.3 p -146.86 145.79 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.251 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 112' ' ' LEU . 21.8 m -122.37 126.77 48.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.406 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.595 ' N ' HD12 ' A' ' 97' ' ' ILE . 4.2 mp -112.57 89.76 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.651 ' CG ' ' CB ' ' A' ' 104' ' ' ALA . 42.3 m95 -75.01 162.5 28.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.165 . . . . 0.0 107.981 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 50' ' ' LYS . . . -103.12 145.63 29.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.0 t -39.95 -53.37 2.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.029 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -50.44 -52.88 26.75 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.456 1.098 . . . . 0.0 111.01 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.41 150.24 1.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 0.781 . . . . 0.0 109.259 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -88.71 40.79 3.06 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.536 1.148 . . . . 0.0 111.039 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.651 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -79.6 -170.48 2.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.753 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -144.68 121.99 11.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.476 ' NE2' ' HG3' ' A' ' 108' ' ' PRO . 19.5 t60 -55.62 93.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.606 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.94 69.13 76.62 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.03 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.607 ' HB3' HD21 ' A' ' 112' ' ' LEU . 18.4 Cg_endo -74.97 169.32 22.88 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.509 1.794 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.557 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.1 Cg_endo -75.04 -14.66 23.04 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.999 0.02 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.564 ' O ' HG23 ' A' ' 95' ' ' VAL . 42.0 p -57.05 -91.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.361 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -70.38 146.51 50.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.607 HD21 ' HB3' ' A' ' 108' ' ' PRO . 18.1 mt -143.15 165.67 26.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 53.3 t -133.91 127.58 52.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.729 ' HE1' ' HB3' ' A' ' 116' ' ' ALA . 7.7 t90 -91.18 100.45 13.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 108.01 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.1 -46.43 18.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.729 ' HB3' ' HE1' ' A' ' 114' ' ' TRP . . . -41.14 -44.81 2.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.564 ' HG3' ' CH2' ' A' ' 114' ' ' TRP . 9.7 mm100 -102.94 173.26 6.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -113.98 -25.2 8.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 14.8 t -160.23 151.23 19.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 110.449 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.494 ' CE2' ' CG2' ' A' ' 52' ' ' VAL . 49.2 m95 -68.65 -44.22 74.6 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . 0.426 ' O ' ' ND2' ' A' ' 73' ' ' ASN . . . 131.88 102.67 0.88 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.531 1.145 . . . . 0.0 111.026 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 17.1 p -84.36 -168.68 2.27 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 118.46 166.57 13.7 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 29.1 p -62.52 -64.4 0.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.944 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.939 ' HA ' HG23 ' A' ' 144' ' ' VAL . 33.2 t -84.14 127.84 34.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.035 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -140.42 145.4 36.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 2.5 ttt-85 -142.27 113.32 7.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 23.6 m -111.8 163.65 13.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.398 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.708 ' HB3' ' HB2' ' A' ' 70' ' ' ARG . . . -160.69 163.81 32.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.24 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' A' ' 137' ' ' GLU . 13.5 tp -128.17 131.93 48.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.683 HD13 ' HA ' ' A' ' 137' ' ' GLU . 24.3 mm -113.26 148.32 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.143 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . 0.451 HD22 HG13 ' A' ' 138' ' ' VAL . 9.0 p30 -99.19 -172.47 2.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.352 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 132' ' ' ASN . 0.5 OUTLIER -37.53 -52.07 1.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.029 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 136' ' ' GLU . 71.1 p -86.2 158.22 19.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.399 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -67.29 63.06 0.24 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.543 1.152 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 134' ' ' THR . 18.6 tt0 -143.14 135.67 27.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 0.755 . . . . 0.0 110.327 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.683 ' HA ' HD13 ' A' ' 131' ' ' ILE . 2.2 tt0 -79.56 142.6 35.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 37' ' ' SER . 2.2 m -110.78 -34.2 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -143.97 154.59 43.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 24.1 ptm -134.05 148.21 51.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.417 ' NH2' ' HA ' ' A' ' 44' ' ' GLU . 1.8 tpt180 -141.16 98.54 3.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 33' ' ' HIS . 1.6 tmtt? -102.43 136.96 41.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.14 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.53 HD22 ' HB3' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -143.71 118.41 9.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.939 HG23 ' HA ' ' A' ' 125' ' ' SER . 8.9 p -124.68 149.73 29.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 35.9 ttt180 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 -179.971 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.495 ' HB2' ' HG3' ' A' ' 141' ' ' ARG . . . -100.89 161.99 13.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -165.0 112.85 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.298 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.415 HG21 ' HB2' ' A' ' 41' ' ' ALA . 0.9 OUTLIER -88.8 147.7 24.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 110.386 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.9 OUTLIER -156.12 82.23 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.013 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.04 -140.74 7.07 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.446 1.091 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.448 ' CG ' ' HB3' ' A' ' 58' ' ' SER . 9.3 mtm180 -97.03 -41.76 8.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 0.761 . . . . 0.0 110.255 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.517 HG12 ' N ' ' A' ' 41' ' ' ALA . 61.1 t -90.19 166.58 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.517 ' N ' HG12 ' A' ' 40' ' ' VAL . . . -152.09 136.4 16.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.464 ' CG1' HG23 ' A' ' 45' ' ' VAL . 16.5 t -66.09 86.24 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 42' ' ' VAL . 0.7 OUTLIER -37.8 -66.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.317 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -161.91 134.85 6.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.294 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.985 HG22 HG13 ' A' ' 52' ' ' VAL . 5.8 t -120.05 116.41 50.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.42 ' OD2' ' N ' ' A' ' 50' ' ' LYS . 21.5 t70 -54.24 116.13 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.408 ' HA ' HD13 ' A' ' 126' ' ' LEU . 2.8 pt-20 -54.97 -36.84 65.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -64.47 -20.35 66.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.325 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.413 ' N ' ' OD2' ' A' ' 46' ' ' ASP . . . 84.24 43.13 7.17 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.555 1.16 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.42 ' N ' ' OD2' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -87.16 -48.63 7.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 0.0 109.322 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.559 ' CD2' ' CZ3' ' A' ' 98' ' ' TRP . 24.0 p90 -156.01 166.73 32.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.985 HG13 HG22 ' A' ' 45' ' ' VAL . 45.5 t -121.83 113.07 37.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.28 114.43 26.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.789 HD11 ' CD1' ' A' ' 69' ' ' ILE . 5.6 mt -115.63 127.68 55.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.446 ' CZ ' ' HE2' ' A' ' 57' ' ' LYS . 0.6 OUTLIER -118.6 149.55 41.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.321 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -98.66 137.17 37.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.446 ' HE2' ' CZ ' ' A' ' 55' ' ' ARG . 1.2 mmtp -106.8 -23.75 12.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.473 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 77.3 p -62.64 151.42 38.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.975 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.439 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 1.5 p30 -81.67 -20.42 39.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -101.26 136.48 41.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.307 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -51.78 130.53 29.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.437 ' HG2' HG23 ' A' ' 40' ' ' VAL . 52.0 tp60 -98.67 114.73 27.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.267 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 74.7 m -74.69 126.23 30.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 110.042 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.406 ' SD ' ' HB2' ' A' ' 89' ' ' LEU . 22.7 mtp -115.06 43.14 2.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 111.033 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -84.33 54.97 4.98 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.447 1.092 . . . . 0.0 110.965 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.496 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER 156.17 -26.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 0.799 . . . . 0.0 109.298 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.411 ' O ' ' HB2' ' A' ' 83' ' ' PHE . 11.5 m0 -44.07 156.35 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 108.0 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.463 ' N ' ' OE1' ' A' ' 68' ' ' GLN . 1.0 OUTLIER -144.49 171.25 14.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.789 ' CD1' HD11 ' A' ' 54' ' ' LEU . 10.4 mt -129.36 123.48 58.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.254 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.52 ' HB2' ' HB3' ' A' ' 129' ' ' ALA . 26.6 mtt-85 -92.19 135.7 33.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.454 ' O ' HD12 ' A' ' 78' ' ' LEU . 0.7 OUTLIER -138.04 116.36 11.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.662 ' HB2' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -139.69 86.79 2.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.302 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.485 ' HB3' HD23 ' A' ' 126' ' ' LEU . 55.5 m-20 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.662 HD13 ' HB2' ' A' ' 72' ' ' GLN . 9.8 tp . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.599 ' N ' HD12 ' A' ' 78' ' ' LEU . 1.2 mpp? -116.63 148.06 41.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 111.027 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 82.7 m -134.43 93.5 3.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.389 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.488 ' CE2' HD12 ' A' ' 97' ' ' ILE . 87.4 t80 -74.79 95.06 2.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.41 ' CD ' ' HG2' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -81.61 117.71 22.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.278 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.638 ' HZ ' HD11 ' A' ' 97' ' ' ILE . 21.7 m-85 -64.1 167.91 7.13 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.419 ' O ' ' HA2' ' A' ' 65' ' ' GLY . 18.4 Cg_endo -74.97 149.59 37.08 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.492 1.785 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.496 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.4 Cg_endo -75.02 4.14 5.01 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.546 1.814 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.06 48.33 2.12 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.563 ' CE1' HD11 ' A' ' 112' ' ' LEU . 12.2 t80 -128.1 142.1 51.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 111.026 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.8 m -141.05 116.58 10.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 110.414 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.406 ' HB2' ' SD ' ' A' ' 64' ' ' MET . 52.3 tp -91.65 91.78 8.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 89' ' ' LEU . 7.2 mtpt -44.49 167.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.473 ' HB1' ' O ' ' A' ' 58' ' ' SER . . . -78.25 128.98 34.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 81.46 9.68 85.49 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.475 1.11 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -93.04 177.1 6.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 110.286 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 11.9 p -148.83 157.07 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.4 p -143.77 136.07 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 112' ' ' LEU . 23.7 m -108.46 132.75 53.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.391 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.638 HD11 ' HZ ' ' A' ' 83' ' ' PHE . 0.3 OUTLIER -110.66 79.8 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.559 ' CZ3' ' CD2' ' A' ' 51' ' ' PHE . 59.8 m95 -69.65 157.13 37.83 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.539 ' HB1' ' HA ' ' A' ' 119' ' ' THR . . . -106.74 139.38 41.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.5 t -40.72 -52.2 2.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.011 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -49.85 -41.94 37.0 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.504 1.128 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 99' ' ' ALA . . . -47.69 -62.18 1.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 104.11 28.23 5.93 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -77.55 -165.13 0.56 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 0.782 . . . . 0.0 109.341 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.01 127.75 48.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.4 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.477 ' CE1' HD23 ' A' ' 112' ' ' LEU . 14.7 t60 -68.05 93.41 0.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.582 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.18 75.96 59.96 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.994 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.538 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.2 Cg_endo -74.94 168.95 23.69 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.501 1.79 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.538 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -74.97 -18.41 18.76 Favored 'Cis proline' 0 C--N 1.359 1.13 0 C-N-CA 121.016 -2.493 . . . . 0.0 111.019 -0.039 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 37.4 p -54.35 -87.11 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.434 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.439 ' OD1' ' NE1' ' A' ' 98' ' ' TRP . 32.7 m-20 -67.4 136.34 54.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.563 HD11 ' CE1' ' A' ' 87' ' ' PHE . 15.6 mt -142.95 105.11 4.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 53.7 t -79.19 137.75 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.52 ' CD2' ' HB2' ' A' ' 117' ' ' GLN . 5.8 t90 -96.08 99.73 11.45 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.2 mttp -84.26 -43.67 14.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.351 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -44.53 -45.01 9.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.52 ' HB2' ' CD2' ' A' ' 114' ' ' TRP . 0.9 OUTLIER -100.4 173.52 6.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.265 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.76 HD22 HG22 ' A' ' 119' ' ' THR . 0.3 OUTLIER -110.73 -20.09 12.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.103 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.76 HG22 HD22 ' A' ' 118' ' ' ASN . 10.2 t -167.06 165.0 15.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.4 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.405 ' CE2' HG23 ' A' ' 52' ' ' VAL . 34.4 m95 -87.5 -13.21 43.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 108.027 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 89.46 162.4 38.39 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.521 1.138 . . . . 0.0 111.034 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.49 ' HA ' ' CD2' ' A' ' 126' ' ' LEU . 1.5 p -164.39 -175.9 4.13 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 125' ' ' SER . . . 141.68 50.57 0.04 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.541 1.151 . . . . 0.0 110.99 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.456 ' CB ' ' HB3' ' A' ' 145' ' ' ARG . 1.5 t 65.7 -71.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 109.992 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.797 ' HA ' HG23 ' A' ' 144' ' ' VAL . 8.0 t -78.08 124.47 28.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.977 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.49 ' CD2' ' HA ' ' A' ' 122' ' ' CYS . 0.4 OUTLIER -134.94 154.13 51.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -157.43 91.61 1.17 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 110.302 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 19.0 m -96.42 147.97 23.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.391 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.52 ' HB3' ' HB2' ' A' ' 70' ' ' ARG . . . -143.06 159.83 41.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.506 HD23 HG23 ' A' ' 138' ' ' VAL . 12.2 tp -120.56 130.89 54.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.533 HG23 ' O ' ' A' ' 136' ' ' GLU . 26.0 mm -112.29 147.9 15.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . 0.814 ' OD1' HG22 ' A' ' 134' ' ' THR . 8.0 p30 -101.84 -169.48 1.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 132' ' ' ASN . 2.6 p -36.92 -57.19 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.019 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.814 HG22 ' OD1' ' A' ' 132' ' ' ASN . 3.7 t -82.1 160.3 23.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 110.402 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -68.74 59.67 0.5 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.554 1.159 . . . . 0.0 111.039 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . 0.533 ' O ' HG23 ' A' ' 131' ' ' ILE . 12.7 tt0 -137.84 146.93 44.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 0.786 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.522 ' HA ' HD13 ' A' ' 131' ' ' ILE . 13.8 tt0 -88.7 140.28 29.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.348 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.506 HG23 HD23 ' A' ' 130' ' ' LEU . 4.4 m -111.79 -28.54 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -147.72 161.4 41.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 26.3 ptm -144.66 156.33 44.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.964 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.495 ' HG3' ' HB2' ' A' ' 34' ' ' ALA . 4.1 ttt85 -148.91 88.82 1.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . 0.426 ' HG2' ' N ' ' A' ' 143' ' ' LEU . 10.1 tttt -85.61 150.69 24.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.426 ' N ' ' HG2' ' A' ' 142' ' ' LYS . 0.2 OUTLIER -160.87 114.0 1.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.245 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.797 HG23 ' HA ' ' A' ' 125' ' ' SER . 11.9 p -123.18 153.36 28.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . 0.456 ' HB3' ' CB ' ' A' ' 124' ' ' SER . 16.0 ttt85 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.318 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.755 ' NE2' HG23 ' A' ' 144' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.488 ' CB ' ' HA ' ' A' ' 141' ' ' ARG . . . -108.02 158.87 17.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -154.07 117.11 4.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.322 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -91.34 148.48 22.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.397 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 138' ' ' VAL . 3.2 m -156.16 82.46 0.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.013 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 160.0 -139.24 6.01 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.125 . . . . 0.0 110.99 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.495 ' HD3' ' CG ' ' A' ' 60' ' ' GLU . 5.3 mtm-85 -100.83 -41.26 6.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 0.753 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.539 HG23 ' HG2' ' A' ' 62' ' ' GLN . 68.2 t -95.58 158.18 3.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.143 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -141.07 153.16 45.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.791 ' HA ' HD23 ' A' ' 54' ' ' LEU . 98.3 t -77.28 88.88 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.99 -67.4 0.25 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -159.07 125.45 4.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.849 HG22 HG13 ' A' ' 52' ' ' VAL . 13.9 t -115.45 102.66 14.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -46.48 112.85 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.117 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.829 ' HB3' HD22 ' A' ' 143' ' ' LEU . 5.7 pt-20 -57.74 -38.68 75.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.39 -26.09 28.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.7 63.08 1.49 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.2 mtmm -117.62 -45.31 2.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 0.74 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.463 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 50.6 p90 -158.05 157.78 33.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.954 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.849 HG13 HG22 ' A' ' 45' ' ' VAL . 20.1 t -120.12 114.37 43.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.6 124.99 43.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.791 HD23 ' HA ' ' A' ' 42' ' ' VAL . 26.0 mt -117.96 129.76 55.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.2 ttm180 -119.26 154.68 33.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 37.2 t-20 -102.49 122.73 44.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.4 mmpt? -95.56 -28.27 14.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.571 1.17 . . . . 0.0 109.338 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.28 169.73 2.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.438 1.086 . . . . 0.0 110.016 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -110.25 17.09 21.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.495 ' CG ' ' HD3' ' A' ' 39' ' ' ARG . 2.2 pt-20 -132.16 127.38 35.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 110.334 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -44.93 114.28 0.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.539 ' HG2' HG23 ' A' ' 40' ' ' VAL . 50.4 tp60 -91.78 116.85 29.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.323 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.61 142.97 44.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.047 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.416 ' SD ' ' CE3' ' A' ' 67' ' ' TRP . 0.4 OUTLIER -134.68 34.84 3.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.502 ' CA ' ' HA ' ' A' ' 85' ' ' PRO . . . -78.85 56.38 4.26 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER 156.19 -25.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 109.313 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.436 ' CG ' ' HA ' ' A' ' 132' ' ' ASN . 13.4 m0 -44.29 163.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 108.022 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -148.28 170.89 16.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.956 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 4.0 mt -130.95 122.32 51.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.439 1.087 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.6 mtt-85 -96.13 139.08 32.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.26 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -140.68 116.53 10.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.474 ' HB2' HD13 ' A' ' 78' ' ' LEU . 16.3 tm0? -140.4 102.87 4.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.791 ' HB3' HD23 ' A' ' 126' ' ' LEU . 23.7 m-20 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.474 HD13 ' HB2' ' A' ' 72' ' ' GLN . 4.3 tp . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -106.1 143.71 33.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 43.8 m -123.42 91.19 3.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 110.393 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.574 ' HB2' ' CH2' ' A' ' 114' ' ' TRP . 62.0 t80 -73.29 95.08 2.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 111.032 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -78.8 117.76 20.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.335 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.956 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 22.0 m-85 -63.06 167.12 6.68 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.437 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.1 Cg_endo -75.04 146.95 33.11 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.499 1.789 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.502 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.3 Cg_endo -74.97 15.63 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.477 1.777 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.437 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.0 OUTLIER -135.21 40.88 2.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -124.93 150.02 47.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -154.91 114.41 3.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.376 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 36.8 tp -83.79 100.07 10.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.33 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.9 mtpt -51.3 171.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.75 126.0 30.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 79.35 10.32 86.09 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.439 1.087 . . . . 0.0 110.961 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.94 173.9 8.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 0.79 . . . . 0.0 110.243 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.7 p -146.52 157.17 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.1 p -145.42 147.65 18.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 28.6 m -122.65 126.08 46.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 110.414 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.558 ' N ' HD12 ' A' ' 97' ' ' ILE . 3.9 mp -113.47 83.84 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.495 ' CG ' ' CB ' ' A' ' 104' ' ' ALA . 46.1 m95 -64.68 161.22 18.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 107.98 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.822 ' HB2' ' CD1' ' A' ' 120' ' ' TRP . . . -103.14 139.32 38.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.429 ' HB3' ' O ' ' A' ' 117' ' ' GLN . 9.4 t -37.52 -47.95 0.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 109.955 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 118' ' ' ASN . . . -57.17 -48.17 81.97 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.528 1.142 . . . . 0.0 111.03 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 99' ' ' ALA . . . -40.63 -54.47 2.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 0.779 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 89.42 23.68 33.36 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.553 1.158 . . . . 0.0 111.017 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.495 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -60.07 -160.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 0.747 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -125.76 113.51 17.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.403 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.49 ' CE1' HD23 ' A' ' 112' ' ' LEU . 8.3 t60 -56.05 111.51 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.614 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.463 ' CB ' ' HB2' ' A' ' 111' ' ' ASP . 0.5 OUTLIER -144.52 66.29 13.58 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.981 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.546 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.1 Cg_endo -75.07 169.29 22.92 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.477 1.777 . . . . 0.0 111.015 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.546 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.4 Cg_endo -74.95 -13.41 23.52 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 120.995 -2.502 . . . . 0.0 111.058 -0.037 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 107' ' ' SER . 42.3 p -56.01 -74.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.385 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.463 ' HB2' ' CB ' ' A' ' 107' ' ' SER . 37.4 m-20 -83.41 150.3 26.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.49 HD23 ' CE1' ' A' ' 106' ' ' HIS . 28.2 mt -146.12 147.59 31.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 55.1 t -124.1 120.42 59.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.76 ' NE1' ' HB3' ' A' ' 116' ' ' ALA . 5.8 t90 -83.26 97.31 8.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 107.987 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 116' ' ' ALA . 7.9 mtmt -76.31 -45.23 33.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.76 ' HB3' ' NE1' ' A' ' 114' ' ' TRP . . . -36.81 -69.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.754 HE22 ' HB1' ' A' ' 99' ' ' ALA . 0.0 OUTLIER -76.2 175.28 9.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.273 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.512 HD22 HG22 ' A' ' 119' ' ' THR . 0.0 OUTLIER -115.35 -24.67 8.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.512 HG22 HD22 ' A' ' 118' ' ' ASN . 6.5 t -160.59 123.07 3.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.422 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.822 ' CD1' ' HB2' ' A' ' 99' ' ' ALA . 32.4 m95 -40.79 -46.94 2.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 108.006 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 138.18 138.61 3.73 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.414 ' C ' HD21 ' A' ' 126' ' ' LEU . 1.4 p -120.99 -176.35 3.25 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.42 ' N ' HD21 ' A' ' 126' ' ' LEU . . . 124.62 153.18 8.51 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.514 1.134 . . . . 0.0 111.023 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 33.1 p -57.86 -31.05 66.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 0.793 . . . . 0.0 110.015 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 36.9 p -111.28 119.19 38.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.02 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.791 HD23 ' HB3' ' A' ' 73' ' ' ASN . 0.2 OUTLIER -135.02 156.3 49.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.29 112.83 2.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 11.4 m -108.16 153.03 23.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.383 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -146.6 158.68 43.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.455 HD23 HG23 ' A' ' 138' ' ' VAL . 14.2 tp -123.02 131.84 53.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.525 HD13 ' HA ' ' A' ' 137' ' ' GLU . 23.1 mm -113.56 150.24 15.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . 0.451 ' OD1' HG22 ' A' ' 134' ' ' THR . 13.1 p30 -102.74 -168.06 1.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.248 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.485 ' OG ' ' N ' ' A' ' 134' ' ' THR . 1.0 OUTLIER -36.24 -64.1 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 110.025 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.485 ' N ' ' OG ' ' A' ' 133' ' ' SER . 14.7 t -81.57 163.69 22.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.386 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -67.4 64.5 0.26 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 134' ' ' THR . 11.8 tt0 -140.07 133.13 29.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 110.279 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.525 ' HA ' HD13 ' A' ' 131' ' ' ILE . 3.9 tt0 -78.83 146.79 33.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 37' ' ' SER . 1.0 OUTLIER -116.43 -36.01 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -146.02 160.48 41.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 22.0 ptm -148.24 153.58 38.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.488 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 9.3 ttm180 -140.64 94.45 2.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . 0.519 ' HB3' ' CD2' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -83.83 158.48 21.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.361 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.829 HD22 ' HB3' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -155.67 107.73 2.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.755 HG23 ' NE2' ' A' ' 33' ' ' HIS . 21.2 t -115.98 118.89 60.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 110.324 -179.997 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -100.06 160.17 14.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.23 106.16 1.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.309 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.503 HG21 ' HB2' ' A' ' 41' ' ' ALA . 0.9 OUTLIER -87.36 148.88 24.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.384 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.2 OUTLIER -156.11 82.2 1.0 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.999 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 161.81 -145.92 11.45 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.452 1.095 . . . . 0.0 111.036 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.457 ' NE ' ' CD ' ' A' ' 60' ' ' GLU . 7.1 mtm-85 -94.46 -44.61 7.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 0.782 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 75.2 t -93.79 153.19 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.658 ' HB3' ' CD ' ' A' ' 57' ' ' LYS . . . -139.21 149.93 44.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.674 ' CG1' HG23 ' A' ' 45' ' ' VAL . 66.4 t -72.16 85.97 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 42' ' ' VAL . 7.4 tm-20 -37.46 -64.73 0.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -159.15 132.76 7.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.314 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.821 HG22 HG13 ' A' ' 52' ' ' VAL . 6.9 t -124.56 115.53 44.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -58.01 117.28 4.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.506 ' O ' HD13 ' A' ' 126' ' ' LEU . 6.5 pt-20 -58.89 -39.11 80.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.103 . . . . 0.0 110.307 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.4 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -54.54 -27.63 39.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.31 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.23 59.6 1.74 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.512 1.132 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.686 ' HD2' ' HB1' ' A' ' 102' ' ' ALA . 0.5 OUTLIER -112.02 -43.63 3.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.275 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.574 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 41.9 p90 -158.31 157.8 33.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.821 HG13 HG22 ' A' ' 45' ' ' VAL . 42.0 t -119.45 117.01 52.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.15 127.58 49.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.683 ' O ' HG13 ' A' ' 94' ' ' VAL . 4.3 mt -124.02 142.74 50.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.511 ' CG ' HG22 ' A' ' 94' ' ' VAL . 26.9 ttp85 -131.74 148.76 52.6 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -100.95 111.22 23.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.658 ' CD ' ' HB3' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -77.5 -33.84 54.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 m -58.2 158.47 7.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.041 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -98.66 15.82 23.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.653 ' C ' ' HB2' ' A' ' 91' ' ' ALA . 2.4 pt-20 -119.59 154.68 33.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.345 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -72.37 115.05 11.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.408 ' CD ' ' CZ2' ' A' ' 67' ' ' TRP . 42.0 tp60 -92.02 115.76 28.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.9 m -79.22 125.6 29.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.023 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.565 ' HA ' ' CD1' ' A' ' 67' ' ' TRP . 45.1 mtp -116.35 34.15 5.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.525 ' CA ' ' HA ' ' A' ' 85' ' ' PRO . . . -78.18 52.81 3.76 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.512 1.132 . . . . 0.0 111.026 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER 158.98 -26.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 0.741 . . . . 0.0 109.279 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.565 ' CD1' ' HA ' ' A' ' 64' ' ' MET . 11.0 m0 -42.05 157.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.496 ' O ' HD12 ' A' ' 130' ' ' LEU . 2.2 mp0 -143.16 167.15 22.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.353 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.933 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 2.5 mt -129.41 121.47 53.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.597 HH21 HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -95.89 134.29 39.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.239 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.506 ' CZ ' ' O ' ' A' ' 120' ' ' TRP . 9.9 tpt180 -129.99 118.46 21.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.437 ' CB ' ' HG ' ' A' ' 78' ' ' LEU . 13.3 tm0? -125.6 126.36 44.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.448 ' ND2' ' C ' ' A' ' 121' ' ' GLY . 1.9 m120 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.597 HD13 HH21 ' A' ' 70' ' ' ARG . 1.6 tt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.43 ' N ' HD23 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -104.96 147.73 27.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 38.0 m -131.19 99.08 4.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.392 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.509 ' CE2' HG21 ' A' ' 97' ' ' ILE . 88.1 t80 -85.61 93.41 8.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.59 117.22 20.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.933 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 26.9 m-85 -63.15 165.93 9.51 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.964 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.49 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.3 Cg_endo -75.04 145.38 31.24 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.544 1.813 . . . . 0.0 110.979 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.525 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.3 Cg_endo -74.98 21.98 0.42 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.491 1.785 . . . . 0.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.49 ' H ' ' C ' ' A' ' 84' ' ' PRO . 1.3 mmmp? -138.81 37.13 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -128.86 140.46 51.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.82 112.55 7.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 110.404 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 90' ' ' LYS . 40.2 tp -80.4 95.78 6.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 89' ' ' LEU . 8.2 mtpt -47.62 173.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.653 ' HB2' ' C ' ' A' ' 60' ' ' GLU . . . -82.41 136.94 34.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.87 2.94 58.52 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 91' ' ' ALA . 0.5 OUTLIER -86.98 176.31 7.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 0.796 . . . . 0.0 110.288 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.683 HG13 ' O ' ' A' ' 54' ' ' LEU . 18.0 t -149.29 143.65 18.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 110' ' ' THR . 3.3 p -130.13 140.76 48.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 112' ' ' LEU . 56.1 m -116.13 133.91 55.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.396 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.509 HG21 ' CE2' ' A' ' 81' ' ' TYR . 4.3 mp -119.7 86.01 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.574 ' CE3' ' HB3' ' A' ' 51' ' ' PHE . 47.8 m95 -71.08 167.47 19.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 108.008 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 100' ' ' SER . . . -105.71 145.32 31.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 99' ' ' ALA . 4.1 t -38.06 -45.8 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.998 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -104.71 73.8 0.24 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.483 1.114 . . . . 0.0 110.981 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.686 ' HB1' ' HD2' ' A' ' 50' ' ' LYS . . . -152.22 23.35 0.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 41.49 42.74 3.59 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.512 1.132 . . . . 0.0 110.953 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.555 ' CB ' ' CB ' ' A' ' 98' ' ' TRP . . . -96.17 -176.45 3.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 0.765 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -142.05 112.34 7.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.407 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.573 ' CE1' HD23 ' A' ' 112' ' ' LEU . 7.7 t60 -52.57 109.69 0.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.572 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.47 ' CB ' ' HB2' ' A' ' 111' ' ' ASP . 0.3 OUTLIER -140.34 66.41 29.94 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.545 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.1 Cg_endo -75.02 169.13 23.29 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.538 1.81 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.545 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -74.98 -11.0 24.22 Favored 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 121.047 -2.48 . . . . 0.0 111.013 0.035 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.503 ' O ' HG23 ' A' ' 95' ' ' VAL . 33.3 p -59.96 -85.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 110.417 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.47 ' HB2' ' CB ' ' A' ' 107' ' ' SER . 26.5 m-20 -74.66 146.98 41.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.573 HD23 ' CE1' ' A' ' 106' ' ' HIS . 22.9 mt -140.38 161.29 38.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 46.9 t -128.67 128.72 68.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.58 ' NE1' ' HB3' ' A' ' 116' ' ' ALA . 4.8 t90 -87.33 107.86 18.71 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.32 -36.23 16.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.58 ' HB3' ' NE1' ' A' ' 114' ' ' TRP . . . -54.89 -48.56 72.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.487 ' HB2' ' CD2' ' A' ' 114' ' ' TRP . 0.7 OUTLIER -100.13 172.97 6.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -113.45 -19.83 11.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.603 HG23 ' H ' ' A' ' 121' ' ' GLY . 10.5 t -158.81 166.74 31.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.416 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.506 ' O ' ' CZ ' ' A' ' 71' ' ' ARG . 54.6 m95 -94.95 34.88 1.31 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 108.007 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . 0.603 ' H ' HG23 ' A' ' 119' ' ' THR . . . 67.2 146.23 0.09 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 1.5 p -128.97 -175.11 3.45 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 119.08 157.98 10.55 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.525 1.141 . . . . 0.0 110.96 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 145' ' ' ARG . 4.2 p -56.08 -49.08 74.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 0.752 . . . . 0.0 109.967 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.944 ' HA ' HG23 ' A' ' 144' ' ' VAL . 4.3 m -94.18 125.14 38.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.031 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.506 HD13 ' O ' ' A' ' 47' ' ' GLU . 0.8 OUTLIER -134.31 155.48 50.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.19 123.35 5.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.301 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 51.8 m -119.64 153.23 35.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.379 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -153.08 158.78 42.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.496 HD12 ' O ' ' A' ' 68' ' ' GLN . 13.9 tp -122.41 129.7 52.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.491 HD13 ' O ' ' A' ' 130' ' ' LEU . 20.5 mm -113.61 122.51 67.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.273 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 133' ' ' SER . 9.9 p30 -74.74 -174.25 2.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.241 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 132' ' ' ASN . 1.0 OUTLIER -35.13 -61.18 0.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.959 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 136' ' ' GLU . 51.8 p -76.91 160.11 29.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.42 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -68.41 59.49 0.44 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.478 1.111 . . . . 0.0 111.053 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 134' ' ' THR . 12.5 tt0 -137.24 140.46 41.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 0.771 . . . . 0.0 110.277 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.431 ' HA ' ' O ' ' A' ' 130' ' ' LEU . 24.9 tt0 -83.88 145.04 28.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 37' ' ' SER . 1.6 m -114.16 -39.05 2.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -144.66 162.78 35.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 15.6 ptm -146.64 153.37 40.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 20.8 ttm-85 -141.81 93.08 2.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -88.69 149.02 23.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -158.2 114.86 2.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.944 HG23 ' HA ' ' A' ' 125' ' ' SER . 5.3 p -123.44 153.2 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 124' ' ' SER . 64.3 ttt180 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.301 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.46 ' CB ' ' HA ' ' A' ' 141' ' ' ARG . . . -101.61 157.82 16.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -155.75 110.56 2.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.9 147.12 28.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 110.414 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.2 OUTLIER -156.25 81.78 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.977 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.38 -131.81 2.84 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -107.66 -40.84 5.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 0.77 . . . . 0.0 110.33 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.518 HG12 ' N ' ' A' ' 41' ' ' ALA . 99.3 t -91.53 166.33 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.518 ' N ' HG12 ' A' ' 40' ' ' VAL . . . -152.31 137.65 17.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.521 ' CG1' HG23 ' A' ' 45' ' ' VAL . 41.9 t -66.28 89.31 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.77 -67.57 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.273 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -158.96 133.97 8.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.757 HG22 HG13 ' A' ' 52' ' ' VAL . 11.4 t -123.09 121.07 62.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.52 ' CG ' ' CE1' ' A' ' 51' ' ' PHE . 5.5 m-20 -57.93 116.46 3.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.648 ' HB3' HD22 ' A' ' 143' ' ' LEU . 6.9 pt-20 -48.98 -40.24 29.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.286 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -62.68 -37.36 86.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.472 ' CA ' ' HB2' ' A' ' 120' ' ' TRP . . . 101.37 38.19 3.34 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.99 -38.04 23.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 0.767 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.52 ' CE1' ' CG ' ' A' ' 46' ' ' ASP . 43.8 p90 -162.35 159.51 25.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.757 HG13 HG22 ' A' ' 45' ' ' VAL . 42.4 t -123.22 115.6 46.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -100.5 122.98 44.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.805 HD11 ' CD1' ' A' ' 69' ' ' ILE . 6.0 mt -116.73 135.61 53.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -123.5 151.19 43.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 110.288 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -103.26 129.26 50.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -102.67 -15.8 16.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.629 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 45.0 t -66.47 170.56 5.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.018 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.473 ' C ' ' CB ' ' A' ' 91' ' ' ALA . 2.9 p30 -101.41 -25.19 14.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -100.13 137.04 39.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -46.03 138.69 4.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.321 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 89' ' ' LEU . 49.6 tp60 -103.97 119.17 38.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.281 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 39.6 p -82.18 117.68 22.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.991 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.438 ' HE2' ' CD2' ' A' ' 83' ' ' PHE . 20.4 mtp -112.59 45.38 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.513 ' O ' ' ND2' ' A' ' 66' ' ' ASN . . . -86.93 55.43 4.62 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.533 1.145 . . . . 0.0 110.974 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.513 ' ND2' ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER 154.9 -23.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.762 . . . . 0.0 109.306 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.412 ' O ' ' O ' ' A' ' 66' ' ' ASN . 11.1 m0 -44.45 165.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.456 ' O ' HD12 ' A' ' 130' ' ' LEU . 3.7 mt-30 -152.07 169.07 23.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.805 ' CD1' HD11 ' A' ' 54' ' ' LEU . 8.4 mt -129.58 125.75 61.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.497 ' CZ ' HD21 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -99.69 135.98 40.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.469 ' HB3' ' CG ' ' A' ' 79' ' ' MET . 4.8 tpp180 -134.97 104.43 5.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.87 141.15 36.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.137 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.497 HD21 ' CZ ' ' A' ' 70' ' ' ARG . 16.3 tp . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.625 ' SD ' ' CH2' ' A' ' 114' ' ' TRP . 17.1 ptp -112.83 151.21 30.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 57.4 m -132.83 97.35 4.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.407 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.585 ' HB2' ' CH2' ' A' ' 114' ' ' TRP . 77.9 t80 -75.99 96.35 3.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.5 ttt180 -80.06 128.62 33.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.271 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.573 ' CE2' HD11 ' A' ' 69' ' ' ILE . 14.6 m-85 -76.33 166.14 47.3 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.509 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.2 Cg_endo -75.0 146.49 32.69 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.55 1.816 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.486 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.4 Cg_endo -74.98 23.83 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.463 1.77 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.509 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.0 OUTLIER -142.05 30.03 1.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -113.24 151.06 31.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.2 m -155.0 113.16 3.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.459 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 62' ' ' GLN . 49.1 tp -86.44 95.81 9.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.0 mtpt -48.47 164.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.629 ' HB1' ' O ' ' A' ' 58' ' ' SER . . . -76.84 133.72 39.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.86 6.34 87.12 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -95.07 173.27 7.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 0.768 . . . . 0.0 110.284 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.1 p -141.93 158.66 20.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 110' ' ' THR . 14.1 p -144.78 149.67 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 33.5 m -122.74 131.04 53.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 110.368 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.497 ' N ' HD12 ' A' ' 97' ' ' ILE . 4.6 mp -116.59 79.78 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.486 ' CG ' ' CB ' ' A' ' 104' ' ' ALA . 53.7 m95 -64.5 160.62 18.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 107.979 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.562 ' HB1' HE22 ' A' ' 117' ' ' GLN . . . -108.51 139.6 43.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 99' ' ' ALA . 4.6 t -36.4 -54.64 0.84 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.995 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 118' ' ' ASN . . . -47.98 -46.82 26.31 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.52 1.137 . . . . 0.0 111.068 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 99' ' ' ALA . . . -47.12 -57.84 4.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 93.16 22.9 26.2 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.486 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -58.88 -160.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -125.53 116.36 21.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 110.388 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.454 ' CE1' HD23 ' A' ' 112' ' ' LEU . 11.8 t60 -58.4 111.4 1.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 109.601 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.501 ' CB ' ' HB2' ' A' ' 111' ' ' ASP . 0.3 OUTLIER -142.73 68.8 19.58 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.028 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.538 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.4 Cg_endo -75.0 169.38 22.75 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.538 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.2 Cg_endo -75.0 -10.85 24.25 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 121.011 -2.495 . . . . 0.0 111.006 -0.006 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.731 ' O ' HG23 ' A' ' 95' ' ' VAL . 33.0 p -59.75 -82.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.412 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.501 ' HB2' ' CB ' ' A' ' 107' ' ' SER . 71.3 m-20 -72.03 147.71 46.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.481 ' CD2' ' HB3' ' A' ' 108' ' ' PRO . 45.7 mt -146.23 144.89 30.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 40.6 t -119.9 116.27 49.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.247 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.743 ' HE1' ' HB3' ' A' ' 116' ' ' ALA . 6.1 t90 -82.02 103.27 11.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 108.019 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.465 ' O ' ' C ' ' A' ' 116' ' ' ALA . 35.2 mttt -82.89 -47.1 12.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.743 ' HB3' ' HE1' ' A' ' 114' ' ' TRP . . . -35.19 -51.49 0.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.658 ' HG3' ' CG ' ' A' ' 114' ' ' TRP . 0.0 OUTLIER -98.63 176.03 5.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.31 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 101' ' ' GLY . 0.3 OUTLIER -116.64 -30.79 5.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.158 . . . . 0.0 109.285 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.482 ' C ' ' NE2' ' A' ' 117' ' ' GLN . 9.3 t -152.98 127.95 9.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 110.411 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.487 ' CE2' ' CG2' ' A' ' 52' ' ' VAL . 40.0 m95 -43.76 -42.79 5.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 107.986 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 133.78 115.33 1.58 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.454 1.097 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 2.7 m -93.78 -179.2 4.92 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 130.75 155.2 8.17 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.532 1.145 . . . . 0.0 110.984 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 90.4 p -61.72 -43.43 98.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.988 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 43.0 t -99.63 117.25 33.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.013 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.515 HD13 ' O ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -135.13 150.65 50.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.411 1.07 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -154.21 104.22 2.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.264 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 18.6 m -96.07 163.71 13.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.428 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ALA . . . . . 0.433 ' HB1' ' OE2' ' A' ' 137' ' ' GLU . . . -159.24 162.75 36.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . 0.528 HD23 HG23 ' A' ' 138' ' ' VAL . 13.5 tp -126.06 133.34 51.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.243 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.649 HD13 ' HA ' ' A' ' 137' ' ' GLU . 32.0 mm -116.5 147.49 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' ASN . . . . . 0.496 HD22 HG13 ' A' ' 138' ' ' VAL . 14.5 p30 -97.34 -171.63 2.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.43 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . 0.0 OUTLIER -41.53 -48.12 3.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.98 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 136' ' ' GLU . 15.4 p -89.11 157.93 18.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.38 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -66.5 64.57 0.17 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.524 1.14 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 134' ' ' THR . 10.2 tt0 -143.96 138.02 28.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 0.785 . . . . 0.0 110.313 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.649 ' HA ' HD13 ' A' ' 131' ' ' ILE . 6.8 tt0 -81.69 146.09 30.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.528 HG23 HD23 ' A' ' 130' ' ' LEU . 0.9 OUTLIER -116.25 -37.54 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -141.12 158.35 44.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 18.1 ptm -139.82 151.85 46.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 111.029 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.46 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 13.8 ttm-85 -141.5 84.58 1.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . 0.487 ' O ' HD12 ' A' ' 143' ' ' LEU . 62.9 tttt -79.41 152.24 30.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.648 HD22 ' HB3' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -158.03 118.54 3.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.345 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 2.6 t -127.54 126.89 68.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 25.9 ttt180 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 110.292 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.1 p -176.27 159.03 1.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 110.005 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -176.57 163.58 2.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.015 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.17 -155.14 25.95 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.445 1.091 . . . . 0.0 110.94 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.4 t 67.15 147.94 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 110.0 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.88 148.97 1.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.016 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.55 118.25 1.24 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -169.65 135.13 1.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 0.743 . . . . 0.0 110.312 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.7 t -178.97 113.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.001 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -162.72 152.16 15.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 164.57 159.51 11.21 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.43 1.081 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 164.64 135.16 1.77 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 141.69 136.23 3.23 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 t -166.86 165.77 15.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 0.79 . . . . 0.0 110.008 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 95.9 t -122.44 104.89 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.521 HG22 ' HD3' ' A' ' 17' ' ' LYS . 40.0 m -122.32 144.72 48.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.427 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.521 ' HD3' HG22 ' A' ' 16' ' ' THR . 0.0 OUTLIER 64.85 163.49 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.315 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.23 49.68 1.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.9 mtt-85 62.81 91.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 66.17 178.0 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -165.9 108.99 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.25 -69.67 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.6 t 61.49 100.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.977 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.75 176.92 4.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 110.041 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 61.88 137.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.2 -56.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 110.009 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.7 ttp85 -144.92 164.73 30.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 110.256 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.0 t -141.98 113.44 7.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.022 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 30' ' ' PHE . 2.2 m -116.95 86.26 2.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.998 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.599 ' CE2' ' CD ' ' A' ' 47' ' ' GLU . 8.5 m-30 58.83 149.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.981 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.472 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 5.7 t -68.23 70.99 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.016 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.493 ' O ' ' CG ' ' A' ' 33' ' ' HIS . 51.9 mt-30 -44.74 152.22 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.493 ' CG ' ' O ' ' A' ' 32' ' ' GLN . 64.4 m-70 -160.55 79.23 0.64 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.622 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -103.25 158.35 16.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.71 99.79 1.88 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.127 . . . . 0.0 110.28 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -79.07 148.11 32.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.418 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.2 OUTLIER -156.25 82.16 0.99 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.988 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 157.77 -133.76 3.64 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.47 ' CG ' ' HB3' ' A' ' 58' ' ' SER . 4.4 mtm180 -108.1 -41.12 5.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 0.802 . . . . 0.0 110.321 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.4 t -91.42 144.29 9.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -132.96 143.37 49.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.938 ' HA ' HD23 ' A' ' 54' ' ' LEU . 59.9 t -70.49 88.38 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -40.39 -67.23 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.272 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -159.77 132.39 6.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.319 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.824 HG22 HG13 ' A' ' 52' ' ' VAL . 8.0 t -120.95 112.29 35.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -53.32 118.62 3.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.599 ' CD ' ' CE2' ' A' ' 30' ' ' PHE . 5.0 pt-20 -53.88 -37.43 63.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -62.57 -24.72 67.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.284 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.23 33.04 12.38 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.503 1.127 . . . . 0.0 111.052 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.3 mtmm -77.87 -44.42 27.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 0.747 . . . . 0.0 109.327 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.557 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 48.3 p90 -158.34 160.42 36.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.824 HG13 HG22 ' A' ' 45' ' ' VAL . 46.6 t -121.92 112.97 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.95 121.18 37.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.938 HD23 ' HA ' ' A' ' 42' ' ' VAL . 31.2 mt -117.41 129.47 55.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.422 ' CZ ' ' HE2' ' A' ' 57' ' ' LYS . 0.5 OUTLIER -121.25 150.06 41.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -96.78 142.85 28.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.422 ' HE2' ' CZ ' ' A' ' 55' ' ' ARG . 5.7 mmtt -110.04 -25.31 10.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.47 ' HB3' ' CG ' ' A' ' 39' ' ' ARG . 62.2 p -64.53 169.14 5.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.982 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.464 ' HA ' ' HB1' ' A' ' 91' ' ' ALA . 0.7 OUTLIER -105.31 -11.39 16.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.157 . . . . 0.0 109.261 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 61' ' ' ASP . 7.2 mt-10 -105.22 126.2 51.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.447 ' OD2' ' CE ' ' A' ' 90' ' ' LYS . 0.2 OUTLIER -40.35 127.68 2.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 89' ' ' LEU . 56.1 tp60 -99.48 128.73 45.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.33 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 74.3 p -91.31 124.07 35.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.996 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.588 ' HA ' ' CD1' ' A' ' 67' ' ' TRP . 0.3 OUTLIER -116.96 45.36 1.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.516 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -86.18 58.15 4.75 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.446 1.091 . . . . 0.0 111.056 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.516 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER 154.62 -23.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 0.77 . . . . 0.0 109.332 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.588 ' CD1' ' HA ' ' A' ' 64' ' ' MET . 11.8 m0 -43.88 163.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 131' ' ' ILE . 5.9 mt-30 -151.86 167.04 29.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.797 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 4.0 mt -127.62 122.56 59.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.3 mtt-85 -91.3 121.26 32.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.416 1.073 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.72 ' O ' HD12 ' A' ' 78' ' ' LEU . 17.3 tpt180 -116.85 112.13 20.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 110.28 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.539 ' HB2' HD13 ' A' ' 78' ' ' LEU . 0.4 OUTLIER -130.43 110.26 11.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.292 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.643 ' HB3' HD23 ' A' ' 126' ' ' LEU . 1.8 m-20 -127.41 137.72 52.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 37.64 -156.33 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.115 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -88.88 77.72 7.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 0.785 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.441 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 0.1 OUTLIER -138.53 175.12 3.56 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.441 ' CD ' ' CB ' ' A' ' 76' ' ' ASP . 18.2 Cg_endo -75.03 113.51 3.81 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.456 1.767 . . . . 0.0 110.979 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.72 HD12 ' O ' ' A' ' 71' ' ' ARG . 6.9 tp -61.67 124.6 21.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.424 ' HE3' ' HG3' ' A' ' 117' ' ' GLN . 1.5 mpp? -107.03 130.45 54.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 16.9 m -110.42 95.2 5.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.369 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -72.0 97.32 1.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 111.011 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -80.67 118.13 21.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.137 . . . . 0.0 110.31 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.797 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 17.7 m-85 -63.61 167.69 6.74 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 18.3 Cg_endo -74.99 148.78 35.81 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.464 1.771 . . . . 0.0 110.982 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.497 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.2 Cg_endo -75.0 4.65 4.55 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.51 1.795 . . . . 0.0 111.03 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.53 50.14 2.04 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -128.72 143.76 51.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.6 m -143.67 112.21 6.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.44 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 62' ' ' GLN . 47.9 tp -87.52 93.61 9.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.447 ' CE ' ' OD2' ' A' ' 61' ' ' ASP . 12.7 mtpt -47.34 168.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.464 ' HB1' ' HA ' ' A' ' 59' ' ' ASN . . . -76.6 135.59 39.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 70.65 7.5 61.45 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.77 173.36 10.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 0.753 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.1 p -145.21 155.9 13.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.256 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 110' ' ' THR . 10.3 p -144.31 147.12 19.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 112' ' ' LEU . 21.6 m -122.12 122.98 40.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.386 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.545 ' N ' HD12 ' A' ' 97' ' ' ILE . 4.0 mp -108.25 84.72 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.347 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.557 ' CE3' ' HB3' ' A' ' 51' ' ' PHE . 69.7 m95 -69.24 164.37 22.89 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.683 ' HB1' ' HA ' ' A' ' 119' ' ' THR . . . -105.66 145.2 31.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.257 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 99' ' ' ALA . 1.8 t -38.4 -55.03 1.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.013 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -95.55 75.79 0.85 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.506 1.129 . . . . 0.0 110.951 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 103' ' ' GLY . . . -156.81 25.79 0.33 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 0.77 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 102' ' ' ALA . . . 36.58 53.28 1.4 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.463 1.102 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.448 ' CB ' ' HB3' ' A' ' 98' ' ' TRP . . . -101.35 -168.0 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.775 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -149.49 107.45 3.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.409 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.563 ' CE1' HD23 ' A' ' 112' ' ' LEU . 7.1 t60 -48.74 107.92 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.598 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.472 ' CB ' ' HB2' ' A' ' 111' ' ' ASP . 0.4 OUTLIER -139.31 65.46 34.88 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.036 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.531 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.1 Cg_endo -75.04 168.87 23.85 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.525 1.803 . . . . 0.0 110.977 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.531 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.4 Cg_endo -74.95 -14.82 22.76 Favored 'Cis proline' 0 C--N 1.359 1.125 0 C-N-CA 121.061 -2.475 . . . . 0.0 111.003 -0.017 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.576 ' O ' HG23 ' A' ' 95' ' ' VAL . 68.0 p -55.68 -81.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 110.415 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.48 ' N ' ' OG1' ' A' ' 110' ' ' THR . 5.4 m-20 -79.48 149.14 31.62 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.563 HD23 ' CE1' ' A' ' 106' ' ' HIS . 24.7 mt -140.56 163.55 32.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.466 HG23 ' HA ' ' A' ' 106' ' ' HIS . 53.4 t -132.34 112.89 20.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.51 ' NE1' ' HB3' ' A' ' 116' ' ' ALA . 6.8 t90 -75.32 97.19 3.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 107.982 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.83 -46.34 18.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.51 ' HB3' ' NE1' ' A' ' 114' ' ' TRP . . . -39.93 -56.07 1.89 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.504 ' HB2' ' CE2' ' A' ' 114' ' ' TRP . 1.2 mm100 -90.14 176.17 6.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.342 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.717 HD22 HG22 ' A' ' 119' ' ' THR . 0.3 OUTLIER -109.81 -22.68 11.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.3 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.717 HG22 HD22 ' A' ' 118' ' ' ASN . 14.2 t -174.9 143.85 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.406 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 70.3 m95 -54.13 -46.06 72.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 107.985 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 132.07 142.2 4.88 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 2.9 m -111.4 -176.39 2.93 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 126.33 158.63 9.96 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.477 1.111 . . . . 0.0 111.038 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 4.6 p -59.45 -53.04 62.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 0.743 . . . . 0.0 109.993 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.5 m -95.02 125.07 39.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.949 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.643 HD23 ' HB3' ' A' ' 73' ' ' ASN . 0.3 OUTLIER -134.89 151.21 50.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.409 ' CB ' ' O ' ' A' ' 72' ' ' GLN . 7.1 ttt-85 -139.12 121.04 15.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.32 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.425 HG21 HG21 ' A' ' 45' ' ' VAL . 24.1 m -131.62 114.31 14.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.405 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -122.33 162.82 20.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.473 HD23 HG23 ' A' ' 138' ' ' VAL . 14.3 tp -115.85 127.83 55.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.526 HD13 ' HA ' ' A' ' 137' ' ' GLU . 26.5 mm -114.83 116.48 52.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.579 HD22 HG13 ' A' ' 138' ' ' VAL . 16.0 p30 -66.08 -174.15 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 132' ' ' ASN . 0.0 OUTLIER -37.48 -61.67 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.031 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 136' ' ' GLU . 70.7 p -75.07 161.3 29.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.419 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -68.49 58.64 0.46 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 134' ' ' THR . 18.7 tt0 -136.41 136.95 39.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 0.746 . . . . 0.0 110.271 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.526 ' HA ' HD13 ' A' ' 131' ' ' ILE . 4.6 tt0 -84.77 139.44 31.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.579 HG13 HD22 ' A' ' 132' ' ' ASN . 1.6 m -109.15 -40.29 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -140.01 146.45 39.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.26 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 19.8 ptm -128.78 152.18 48.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.417 ' HD3' ' CG1' ' A' ' 42' ' ' VAL . 0.8 OUTLIER -146.97 95.26 2.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.568 ' O ' HD12 ' A' ' 143' ' ' LEU . 32.5 tttt -98.8 153.17 18.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.568 HD12 ' O ' ' A' ' 142' ' ' LYS . 0.3 OUTLIER -148.06 123.79 10.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 31' ' ' SER . 11.7 t -125.28 123.76 65.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . 0.57 ' HA ' ' CD1' ' A' ' 30' ' ' PHE . 27.3 ttt85 -77.46 144.97 37.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.275 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.67 78.78 3.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.025 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -93.39 -177.67 40.12 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.544 1.152 . . . . 0.0 110.991 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 154.63 42.49 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.521 1.801 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.2 t -90.79 151.06 21.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 110.007 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 78.3 p -66.8 128.67 37.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.026 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.462 1.101 . . . . 0.0 110.979 -179.947 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.24 141.23 58.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 0.778 . . . . 0.0 110.006 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.23 164.32 13.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.955 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.92 166.83 38.72 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.534 1.147 . . . . 0.0 110.971 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.32 147.88 0.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 0.0 109.983 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -176.35 156.37 1.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.965 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.82 161.33 24.91 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.524 1.14 . . . . 0.0 111.026 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -158.66 124.88 4.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 0.773 . . . . 0.0 110.339 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.2 t -68.6 122.59 18.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 110.059 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -66.63 148.62 51.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 133.27 93.55 0.52 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.134 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -114.29 -134.62 5.84 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 53.0 65.67 3.22 Favored Glycine 0 CA--C 1.529 0.953 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.2 p -102.35 163.07 12.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 0.741 . . . . 0.0 109.936 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.8 t -98.01 92.26 2.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.113 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.409 ' O ' HG23 ' A' ' 16' ' ' THR . 9.0 t -85.13 117.64 24.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 110.401 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.1 155.89 0.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.26 135.26 39.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.25 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.85 87.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.469 1.106 . . . . 0.0 110.298 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -64.6 141.01 58.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.081 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -137.21 153.57 50.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.92 114.38 18.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.25 146.39 46.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.32 114.91 2.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.979 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -61.63 143.82 55.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.14 . . . . 0.0 110.296 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.7 t 57.22 107.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 109.99 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.1 ttt85 64.92 121.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.147 . . . . 0.0 110.308 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.3 p -116.78 -54.7 2.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.408 ' O ' ' O ' ' A' ' 30' ' ' PHE . 19.4 m 47.42 94.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.584 ' CD1' ' HA ' ' A' ' 145' ' ' ARG . 8.8 m-30 58.14 153.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 144' ' ' VAL . 3.8 t -69.5 68.32 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -45.86 141.5 3.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.268 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -149.56 74.3 1.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.653 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.503 ' HB2' ' HG3' ' A' ' 141' ' ' ARG . . . -97.62 161.69 13.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -164.12 115.92 1.34 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -92.91 146.78 23.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.394 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 138' ' ' VAL . 4.8 m -156.14 81.91 0.99 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.003 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.25 -138.0 5.43 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.419 ' CB ' ' HB2' ' A' ' 58' ' ' SER . 32.5 mtm180 -102.25 -42.44 6.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.762 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 95.6 t -91.66 152.39 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 43' ' ' GLU . . . -139.01 132.98 31.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.62 ' CG1' HG23 ' A' ' 45' ' ' VAL . 81.1 t -58.72 86.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -38.68 -59.88 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.308 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -168.2 128.02 1.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.637 HG22 HG13 ' A' ' 52' ' ' VAL . 9.0 t -118.0 111.81 35.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -55.64 113.08 1.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.74 ' HB3' HD22 ' A' ' 143' ' ' LEU . 4.5 pt-20 -54.63 -34.23 61.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.438 1.086 . . . . 0.0 110.281 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.428 ' HA ' ' SG ' ' A' ' 122' ' ' CYS . 2.8 mt-10 -57.48 -26.29 61.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.314 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.431 ' CA ' ' HB2' ' A' ' 120' ' ' TRP . . . 86.85 45.07 5.55 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 99' ' ' ALA . 7.0 mtmm -98.18 -51.34 4.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.556 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 45.3 p90 -150.8 155.48 39.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.969 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.637 HG13 HG22 ' A' ' 45' ' ' VAL . 3.8 t -118.12 112.95 40.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.443 ' HG3' HG23 ' A' ' 96' ' ' THR . 0.1 OUTLIER -95.13 127.92 41.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.272 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' A' ' 42' ' ' VAL . 12.0 mt -124.76 127.08 46.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.8 ttp180 -120.35 148.01 44.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 58' ' ' SER . 40.2 t-20 -93.77 139.71 30.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.426 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 9.3 mmtt -108.56 -35.09 6.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.467 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 2.3 t -62.42 172.29 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.977 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.428 ' HA ' ' HB1' ' A' ' 91' ' ' ALA . 0.7 OUTLIER -102.46 -17.58 15.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.264 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -92.36 123.16 35.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -46.32 125.31 6.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.495 ' NE2' ' H ' ' A' ' 63' ' ' SER . 24.4 tp60 -91.07 128.28 36.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.495 ' H ' ' NE2' ' A' ' 62' ' ' GLN . 10.3 m -93.58 117.65 30.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.99 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.547 ' HA ' ' CD1' ' A' ' 67' ' ' TRP . 6.4 mtp -109.09 42.79 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.543 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -84.85 56.15 5.0 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.543 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.5 OUTLIER 153.11 -22.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 0.0 109.279 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.547 ' CD1' ' HA ' ' A' ' 64' ' ' MET . 12.1 m0 -45.08 167.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 107.987 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -149.33 169.82 19.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.268 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 1.034 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 6.1 mt -129.76 116.63 38.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.549 ' CZ ' HD21 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -92.89 115.56 28.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.249 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -113.75 102.56 10.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.756 ' HB2' HD13 ' A' ' 78' ' ' LEU . 3.3 tp-100 -105.35 131.99 52.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.267 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.434 ' N ' ' OE1' ' A' ' 72' ' ' GLN . 82.6 m-20 -132.56 148.44 52.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.89 149.18 47.25 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 40.78 55.42 3.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 0.797 . . . . 0.0 109.273 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -168.8 159.65 8.2 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 149.57 36.79 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.463 1.77 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.756 HD13 ' HB2' ' A' ' 72' ' ' GLN . 18.7 tp -85.69 134.61 33.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -115.35 152.45 32.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 88.5 m -138.31 89.56 2.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.443 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.621 ' CD1' HD12 ' A' ' 69' ' ' ILE . 38.0 t80 -72.88 103.32 3.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.54 117.82 23.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.143 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 1.034 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 18.7 m-85 -63.14 167.53 6.21 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 18.3 Cg_endo -75.04 150.62 38.25 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.523 1.801 . . . . 0.0 110.942 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.506 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.3 Cg_endo -75.02 3.16 5.88 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.497 1.788 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.406 ' HD2' ' N ' ' A' ' 86' ' ' LYS . 0.2 OUTLIER -123.67 45.74 2.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.582 1.176 . . . . 0.0 109.259 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.56 ' HZ ' HG21 ' A' ' 95' ' ' VAL . 11.3 t80 -128.13 141.37 51.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 111.031 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.1 m -147.04 112.53 5.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.383 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 62' ' ' GLN . 48.0 tp -85.84 97.58 10.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.345 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.3 mtpt -50.58 168.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.467 ' HB1' ' O ' ' A' ' 58' ' ' SER . . . -79.85 134.81 36.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 76.62 2.81 76.91 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 91' ' ' ALA . 0.9 OUTLIER -90.4 176.01 6.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 110.284 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.5 p -146.52 157.5 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.249 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 110' ' ' THR . 7.7 p -143.12 146.89 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 109.36 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 112' ' ' LEU . 3.0 m -119.73 131.31 55.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.381 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.584 HD12 ' O ' ' A' ' 52' ' ' VAL . 4.2 mp -118.24 80.37 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.556 ' CE3' ' HB3' ' A' ' 51' ' ' PHE . 43.7 m95 -65.44 165.05 12.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 108.056 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.641 ' HB1' ' HA ' ' A' ' 119' ' ' THR . . . -111.42 138.76 47.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 99' ' ' ALA . 3.5 t -38.11 -45.01 0.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.965 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -45.36 -63.76 2.57 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.54 162.23 2.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 0.761 . . . . 0.0 109.338 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -97.48 48.82 1.5 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.474 1.109 . . . . 0.0 111.018 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.495 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -76.0 -175.74 3.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 0.0 109.261 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -134.53 120.55 19.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.381 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.452 ' CE1' HD23 ' A' ' 112' ' ' LEU . 15.6 t60 -58.16 111.29 1.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.627 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.473 ' CB ' ' HB2' ' A' ' 111' ' ' ASP . 0.5 OUTLIER -143.14 69.3 18.06 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.011 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.534 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.2 Cg_endo -75.0 169.02 23.55 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.486 1.782 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.534 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -75.03 -12.81 23.98 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.05 -2.479 . . . . 0.0 111.03 0.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.729 ' O ' HG23 ' A' ' 95' ' ' VAL . 43.3 p -58.81 -88.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.389 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.544 ' N ' ' OG1' ' A' ' 110' ' ' THR . 77.6 m-20 -67.29 148.06 52.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.472 ' CD2' ' HB3' ' A' ' 108' ' ' PRO . 36.3 mt -145.29 151.75 38.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 53.8 t -124.74 115.33 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.501 ' CD2' ' HB2' ' A' ' 117' ' ' GLN . 7.0 t90 -77.0 95.16 4.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 108.038 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -79.43 -46.09 18.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.348 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -40.3 -43.48 1.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.501 ' HB2' ' CD2' ' A' ' 114' ' ' TRP . 1.3 mm100 -101.69 176.33 5.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.29 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.564 HD22 HG22 ' A' ' 119' ' ' THR . 0.1 OUTLIER -114.56 -8.87 12.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.641 ' HA ' ' HB1' ' A' ' 99' ' ' ALA . 1.3 t 179.66 160.03 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.365 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.431 ' HB2' ' CA ' ' A' ' 49' ' ' GLY . 51.0 m95 -77.47 -32.88 54.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 108.025 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 118.56 132.91 4.65 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.592 ' C ' HD21 ' A' ' 126' ' ' LEU . 1.1 t -106.16 -153.22 0.49 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 110.48 176.29 20.71 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.544 1.152 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.64 -26.53 25.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.764 . . . . 0.0 109.974 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -113.53 118.07 33.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.991 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.592 HD21 ' C ' ' A' ' 122' ' ' CYS . 0.5 OUTLIER -135.03 154.05 51.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -158.05 104.94 1.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.29 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.403 HG21 HG21 ' A' ' 45' ' ' VAL . 5.8 m -98.7 154.48 17.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 110.375 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -151.07 154.22 36.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.105 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.498 HD23 HG23 ' A' ' 138' ' ' VAL . 14.3 tp -119.8 130.32 54.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.767 HD13 ' HA ' ' A' ' 137' ' ' GLU . 18.2 mm -117.02 146.65 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 136' ' ' GLU . 7.4 p30 -92.45 -172.5 3.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.455 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . 28.0 t -44.88 -38.19 4.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.013 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 136' ' ' GLU . 3.6 p -94.59 158.36 15.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 110.368 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -67.58 63.32 0.29 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.518 1.136 . . . . 0.0 111.04 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . 0.463 ' O ' HG23 ' A' ' 131' ' ' ILE . 14.4 tt0 -145.35 134.86 23.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.767 ' HA ' HD13 ' A' ' 131' ' ' ILE . 7.0 tt0 -80.81 146.83 30.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.346 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.498 HG23 HD23 ' A' ' 130' ' ' LEU . 1.2 m -114.58 -35.67 2.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -149.51 161.59 41.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 4.6 ppp? -150.18 155.74 40.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 111.017 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.503 ' HG3' ' HB2' ' A' ' 34' ' ' ALA . 4.2 ttm-85 -138.27 85.22 2.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 36.0 tttt -74.74 147.78 41.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.74 HD22 ' HB3' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -149.56 104.06 3.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 31' ' ' SER . 3.7 t -113.87 122.5 68.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . 0.584 ' HA ' ' CD1' ' A' ' 30' ' ' PHE . 61.9 ttt-85 -79.23 143.1 35.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 1.8 m -90.61 152.96 20.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 110.014 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -57.63 175.79 1.78 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 89.7 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.551 1.816 . . . . 0.0 110.991 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 28.1 p -101.91 139.17 37.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.02 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 14.1 m -50.34 146.01 5.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 109.998 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.031 0 O-C-N 124.522 1.139 . . . . 0.0 110.974 179.963 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.6 m -154.7 166.86 32.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 0.774 . . . . 0.0 109.959 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t -155.1 165.48 36.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.944 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.1 165.59 26.23 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.462 1.101 . . . . 0.0 111.019 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 t -176.19 167.94 2.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 0.786 . . . . 0.0 110.024 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.03 156.44 8.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.165 . . . . 0.0 109.982 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.52 -175.18 43.2 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -134.11 160.07 38.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 0.76 . . . . 0.0 110.292 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 87.2 p -175.11 174.49 2.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.019 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 60.67 148.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.249 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.04 104.41 0.22 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.548 1.155 . . . . 0.0 111.045 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.91 166.43 33.98 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -166.5 178.78 40.81 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.1 t -134.64 170.48 15.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 0.78 . . . . 0.0 110.021 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.7 p -159.68 142.86 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 66.0 p -82.2 162.33 22.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 110.392 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.38 176.03 12.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 tttp 64.9 114.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.59 153.81 17.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.479 1.112 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.15 150.63 20.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.1 mt -142.21 -65.87 0.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -62.28 120.76 11.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.088 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.3 p -172.18 146.62 1.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.958 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 60.2 m 59.29 169.83 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.007 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 65.99 103.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.7 101.65 1.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.984 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -159.08 158.97 34.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 110.274 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.41 134.55 15.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.974 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.7 p -160.44 152.78 20.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 110.04 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.664 ' HB2' HD23 ' A' ' 143' ' ' LEU . 7.9 m-30 -40.64 153.31 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.965 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 144' ' ' VAL . 3.5 t -67.59 69.08 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 109.992 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 30' ' ' PHE . 30.9 mt-30 -47.19 149.74 0.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 55.5 m-70 -158.94 76.08 0.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.632 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -93.51 162.26 14.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.06 105.9 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.462 HG21 ' HB2' ' A' ' 41' ' ' ALA . 0.9 OUTLIER -87.51 148.61 24.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.162 . . . . 0.0 110.383 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 138' ' ' VAL . 7.7 m -155.03 82.66 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.006 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 158.4 -138.21 5.63 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.531 1.144 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 21.9 mtm180 -102.54 -35.9 8.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 0.742 . . . . 0.0 110.291 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 87.3 t -94.92 156.68 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.462 ' HB2' HG21 ' A' ' 36' ' ' THR . . . -144.94 133.56 22.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.098 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.518 ' CG1' HG23 ' A' ' 45' ' ' VAL . 58.0 t -61.1 87.86 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -38.54 -58.2 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -172.39 135.81 0.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.885 HG22 HG13 ' A' ' 52' ' ' VAL . 11.5 t -122.04 114.45 42.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.469 ' OD2' ' CE2' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -53.78 113.44 1.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.686 ' HB3' HD22 ' A' ' 143' ' ' LEU . 5.1 pt-20 -56.08 -37.06 68.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 110.268 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -56.34 -25.56 49.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 84.97 63.71 1.58 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.472 1.108 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.5 mtmt -118.99 -52.08 2.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.582 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 37.2 p90 -144.94 159.75 42.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 111.03 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.885 HG13 HG22 ' A' ' 45' ' ' VAL . 73.8 t -120.79 111.68 32.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.408 ' HG3' HG23 ' A' ' 96' ' ' THR . 0.0 OUTLIER -93.05 127.96 38.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 110.262 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.585 HD11 HD13 ' A' ' 69' ' ' ILE . 8.0 mt -129.62 127.4 40.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.1 ttp180 -123.19 147.38 46.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -89.44 145.56 25.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.1 mmpt? -109.76 -28.32 8.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.9 t -63.02 174.62 1.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 110.013 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.04 -12.27 15.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -103.65 129.2 50.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.359 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.59 126.3 6.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -96.81 127.86 43.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.313 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.0 t -90.6 123.63 34.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.419 1.074 . . . . 0.0 109.979 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 20.0 mtp -108.38 36.61 2.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.966 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -79.91 54.94 4.49 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER 156.77 -27.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 0.756 . . . . 0.0 109.309 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.506 ' CG ' ' HA ' ' A' ' 132' ' ' ASN . 11.6 m0 -46.81 153.79 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.425 ' HG3' ' C ' ' A' ' 67' ' ' TRP . 0.0 OUTLIER -136.17 173.73 11.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 1.123 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 3.1 mt -136.69 115.52 15.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.418 ' HB2' ' HB3' ' A' ' 129' ' ' ALA . 47.1 mtt-85 -91.52 134.96 34.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -134.78 116.37 14.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.947 ' HB2' HD13 ' A' ' 78' ' ' LEU . 15.9 tm0? -137.16 110.18 7.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.329 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.731 ' HB3' HD23 ' A' ' 126' ' ' LEU . 32.9 m-20 -128.31 147.39 50.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 39.87 -159.84 0.02 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.465 1.103 . . . . 0.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.11 77.89 8.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 0.783 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -137.04 172.21 7.3 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 113.21 3.74 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.486 1.782 . . . . 0.0 111.032 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.947 HD13 ' HB2' ' A' ' 72' ' ' GLN . 11.6 tp -53.77 127.93 27.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 49.2 mtm -108.7 155.0 21.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 66.2 m -140.37 101.35 4.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.4 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -82.77 102.52 11.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.956 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 -86.1 115.98 24.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 110.302 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 1.123 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 29.0 m-85 -61.74 166.02 6.67 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.512 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.2 Cg_endo -75.06 145.47 31.29 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.531 1.806 . . . . 0.0 110.952 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.459 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.4 Cg_endo -74.97 24.23 0.39 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.474 1.776 . . . . 0.0 111.034 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.512 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.0 OUTLIER -144.25 41.99 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -125.31 137.71 54.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.1 m -135.78 113.39 10.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.137 . . . . 0.0 110.384 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.407 ' O ' ' O ' ' A' ' 90' ' ' LYS . 36.2 tp -89.0 95.91 10.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 89' ' ' LEU . 0.7 OUTLIER -44.29 166.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.275 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.452 ' O ' ' NE2' ' A' ' 93' ' ' GLN . . . -78.41 136.36 37.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.96 7.72 71.44 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.55 1.156 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.452 ' NE2' ' O ' ' A' ' 91' ' ' ALA . 1.0 OUTLIER -93.16 172.59 8.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.772 . . . . 0.0 110.36 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.5 p -141.44 158.15 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 109' ' ' PRO . 2.4 p -143.45 131.64 19.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 112' ' ' LEU . 6.7 m -107.78 123.29 48.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 110.371 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.572 ' N ' HD12 ' A' ' 97' ' ' ILE . 4.1 mp -107.36 84.08 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.582 ' CE3' ' HB3' ' A' ' 51' ' ' PHE . 53.6 m95 -67.98 164.14 20.64 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.418 ' O ' ' HB3' ' A' ' 102' ' ' ALA . . . -112.14 141.35 45.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 99' ' ' ALA . 2.4 t -37.45 -51.3 1.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.981 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 118' ' ' ASN . . . -81.14 55.12 4.8 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.535 1.147 . . . . 0.0 111.022 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 99' ' ' ALA . . . -135.55 -46.71 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 0.745 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 100.61 24.61 9.21 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.559 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -80.74 -170.01 2.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 0.731 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.1 m -134.29 121.78 21.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 110.396 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.473 ' NE2' ' HG3' ' A' ' 108' ' ' PRO . 20.6 t60 -58.11 93.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.659 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 111' ' ' ASP . 0.5 OUTLIER -130.32 66.54 78.39 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.028 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.568 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.2 Cg_endo -75.1 169.86 21.66 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.486 1.782 . . . . 0.0 110.982 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.568 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.2 Cg_endo -75.01 -12.91 23.92 Favored 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 121.02 -2.492 . . . . 0.0 110.99 0.032 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 107' ' ' SER . 37.5 p -56.86 -83.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.423 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 107' ' ' SER . 0.8 OUTLIER -81.84 144.11 31.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.53 HD21 ' HB3' ' A' ' 108' ' ' PRO . 15.4 mt -139.69 162.31 35.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 65.2 t -132.67 122.31 46.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.328 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.504 ' CD2' ' HB2' ' A' ' 117' ' ' GLN . 7.0 t90 -86.3 97.59 10.48 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -80.05 -44.82 19.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.428 ' HB3' ' NE1' ' A' ' 114' ' ' TRP . . . -42.25 -40.73 2.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.504 ' HB2' ' CD2' ' A' ' 114' ' ' TRP . 1.0 OUTLIER -107.37 175.65 5.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.263 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 101' ' ' GLY . 3.6 p30 -114.88 -24.44 8.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.431 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 14.1 t -161.22 148.77 15.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.138 . . . . 0.0 110.391 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.47 ' CE2' ' CG2' ' A' ' 52' ' ' VAL . 46.7 m95 -67.9 -41.62 82.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 107.962 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 134.62 137.73 3.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.477 1.11 . . . . 0.0 111.035 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 7.1 p -117.43 -170.85 1.93 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.51 ' O ' HD21 ' A' ' 126' ' ' LEU . . . 118.37 151.95 9.21 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.472 1.108 . . . . 0.0 110.97 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 74.5 p -53.6 -45.52 70.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 0.78 . . . . 0.0 110.008 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 59.7 p -93.9 120.8 34.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.963 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.731 HD23 ' HB3' ' A' ' 73' ' ' ASN . 0.4 OUTLIER -136.73 151.37 49.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 16.0 ttp85 -159.5 114.83 2.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.338 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 8.6 m -111.19 158.68 18.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.398 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.418 ' HB3' ' HB2' ' A' ' 70' ' ' ARG . . . -151.2 156.82 41.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.423 1.077 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 137' ' ' GLU . 13.2 tp -122.58 130.39 52.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.595 HD13 ' HA ' ' A' ' 137' ' ' GLU . 30.5 mm -110.48 146.89 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.52 HD22 HG13 ' A' ' 138' ' ' VAL . 11.7 p30 -100.34 -166.43 1.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.454 ' OG ' ' N ' ' A' ' 134' ' ' THR . 6.8 p -36.42 -63.61 0.38 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.988 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.507 HG22 ' OD1' ' A' ' 132' ' ' ASN . 7.4 t -81.54 162.21 23.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.379 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -67.39 64.84 0.26 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 110.967 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -140.09 138.86 35.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 0.797 . . . . 0.0 110.307 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.595 ' HA ' HD13 ' A' ' 131' ' ' ILE . 0.5 OUTLIER -83.11 138.58 33.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 110.366 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.52 HG13 HD22 ' A' ' 132' ' ' ASN . 2.2 m -109.17 -31.34 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -146.81 158.47 43.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 22.0 ptm -143.55 147.73 34.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 111.026 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 21.7 ttm-85 -131.6 96.64 4.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.362 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 2.4 tttp -89.72 147.16 24.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.686 HD22 ' HB3' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -152.64 117.91 5.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' A' ' 31' ' ' SER . 7.1 t -126.45 120.22 55.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . 0.569 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 62.7 ttt180 -77.41 137.5 38.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 110.263 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 8.6 t -88.24 115.97 26.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.022 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -162.16 -174.34 31.93 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 79.43 2.68 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.432 1.754 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.93 121.98 8.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 110.014 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 34.6 t -111.89 118.93 36.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.006 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.453 1.096 . . . . 0.0 110.995 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.93 165.48 27.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 0.79 . . . . 0.0 110.011 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -161.72 169.24 21.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.988 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.48 147.49 7.93 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.491 1.119 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.6 p -172.56 168.18 5.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 110.026 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.3 166.4 18.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.985 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.53 -177.41 41.22 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.521 1.138 . . . . 0.0 111.017 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -172.43 154.31 3.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 110.341 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.4 p -155.89 160.06 39.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.977 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -172.16 127.78 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -147.58 103.4 0.27 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -141.32 -159.74 8.04 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -133.68 -157.3 8.26 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.7 t -161.38 99.03 1.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 109.983 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.1 p -162.47 125.42 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.7 m -110.79 -61.19 1.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.395 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.8 mtmt -44.78 135.41 5.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.152 . . . . 0.0 109.333 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.4 108.16 1.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.7 174.7 0.37 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -165.93 -65.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.0 mt -145.22 167.8 21.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 178.57 80.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 110.346 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.1 t -156.07 125.35 6.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.009 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 178.71 121.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.977 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -149.32 121.85 8.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.65 150.45 4.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.428 1.08 . . . . 0.0 110.038 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -132.41 84.43 2.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.329 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.21 78.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.987 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.3 p 178.28 154.19 0.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.007 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.562 ' CE1' ' HG3' ' A' ' 145' ' ' ARG . 8.0 m-30 -41.34 155.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 144' ' ' VAL . 8.4 t -69.49 62.33 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.999 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -61.41 131.14 49.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 110.276 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.651 ' CG ' ' O ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -144.89 97.34 3.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.587 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.816 ' HB2' ' HG3' ' A' ' 141' ' ' ARG . . . -104.26 161.53 13.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.64 109.75 2.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.413 HG21 ' HB2' ' A' ' 41' ' ' ALA . 0.9 OUTLIER -90.5 145.77 24.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.428 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.2 OUTLIER -156.22 81.43 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.976 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 163.09 -136.98 4.55 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.433 1.083 . . . . 0.0 111.035 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.449 ' CB ' ' HB3' ' A' ' 58' ' ' SER . 8.8 mtm180 -102.81 -36.95 8.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 0.767 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.536 HG12 ' N ' ' A' ' 41' ' ' ALA . 81.4 t -94.87 167.4 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.1 . . . . 0.0 109.344 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.536 ' N ' HG12 ' A' ' 40' ' ' VAL . . . -154.38 132.35 11.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.578 ' CG1' HG23 ' A' ' 45' ' ' VAL . 58.2 t -59.46 86.94 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 41' ' ' ALA . 4.3 tm-20 -39.81 -59.87 1.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.327 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -169.27 129.62 1.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.323 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.816 HG22 HG13 ' A' ' 52' ' ' VAL . 14.4 t -118.16 111.31 33.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -51.51 111.92 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.333 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.942 ' HB3' HD22 ' A' ' 143' ' ' LEU . 4.5 pt-20 -53.43 -37.01 62.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -54.56 -30.07 53.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.336 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.39 40.32 5.76 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.459 1.099 . . . . 0.0 111.012 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -94.58 -50.13 5.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 0.784 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.571 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 25.2 p90 -149.56 158.76 44.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.816 HG13 HG22 ' A' ' 45' ' ' VAL . 10.8 t -119.87 119.75 61.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.553 ' HG3' HG23 ' A' ' 96' ' ' THR . 0.0 OUTLIER -101.73 128.81 47.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.301 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.608 HD11 HD13 ' A' ' 69' ' ' ILE . 13.1 mt -128.45 127.98 43.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.8 ttp180 -121.32 148.87 43.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.318 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -92.33 140.18 29.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.36 -34.13 8.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.449 ' HB3' ' CB ' ' A' ' 39' ' ' ARG . 2.3 p -61.89 166.53 4.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.985 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -102.39 -3.5 26.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -108.19 128.9 55.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -43.84 127.31 5.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.284 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 50.8 tp60 -101.69 117.65 35.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.1 t -79.88 125.17 29.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 110.001 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 52.8 mtp -115.54 38.84 3.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 111.041 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.544 ' CA ' ' HA ' ' A' ' 85' ' ' PRO . . . -82.13 54.29 4.84 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.464 1.103 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.3 OUTLIER 159.33 -28.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 0.785 . . . . 0.0 109.272 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 12.1 m0 -42.63 154.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 107.966 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.413 ' O ' HD12 ' A' ' 130' ' ' LEU . 1.6 mp0 -138.4 172.42 12.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 1.142 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 2.0 mt -134.75 120.82 32.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 109.315 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 40.6 mtt-85 -95.19 135.44 36.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.53 ' O ' HD12 ' A' ' 78' ' ' LEU . 0.3 OUTLIER -138.6 122.47 17.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 110.283 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.591 ' HB2' HD13 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -135.14 110.64 9.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.366 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 73' ' ' ASN . 0.7 OUTLIER -116.97 138.84 51.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 37.5 -148.95 0.06 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -93.0 73.44 4.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 0.76 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.414 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 0.6 OUTLIER -131.3 173.79 5.45 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.248 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.414 ' CD ' ' CB ' ' A' ' 76' ' ' ASP . 18.4 Cg_endo -75.0 113.32 3.77 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.468 1.773 . . . . 0.0 111.037 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.591 HD13 ' HB2' ' A' ' 72' ' ' GLN . 11.9 tp -52.77 127.04 21.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -108.23 134.62 50.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 92.0 m -121.92 97.64 5.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 110.385 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -78.31 105.09 9.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.39 113.04 24.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 1.142 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 33.8 m-85 -58.08 165.36 2.71 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.962 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.456 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.3 Cg_endo -74.96 147.05 33.58 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.521 1.801 . . . . 0.0 111.03 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.544 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.1 Cg_endo -75.03 18.64 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.507 1.793 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.456 ' H ' ' C ' ' A' ' 84' ' ' PRO . 1.0 OUTLIER -135.64 37.89 2.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -128.75 139.48 52.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.989 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.75 116.56 10.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.422 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 32.7 tp -86.23 98.11 10.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.289 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -47.4 171.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.45 ' O ' ' NE2' ' A' ' 93' ' ' GLN . . . -82.31 138.43 34.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 71.24 4.13 55.24 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.507 1.129 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 91' ' ' ALA . 1.1 mp0 -90.64 171.32 9.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 0.797 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.4 p -141.62 155.32 20.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 110' ' ' THR . 3.6 p -142.16 141.12 29.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.553 HG23 ' HG3' ' A' ' 53' ' ' ARG . 3.4 m -117.61 130.23 56.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 110.41 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.441 ' N ' HD12 ' A' ' 97' ' ' ILE . 5.4 mp -115.33 87.15 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.619 ' CB ' ' CB ' ' A' ' 104' ' ' ALA . 41.8 m95 -68.62 162.85 25.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 107.974 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 100' ' ' SER . . . -106.97 140.51 39.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 99' ' ' ALA . 6.0 t -38.69 -43.36 0.89 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.09 . . . . 0.0 110.004 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -49.1 -64.41 3.33 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.54 1.15 . . . . 0.0 111.007 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.29 162.56 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -94.81 43.99 2.25 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.619 ' CB ' ' CB ' ' A' ' 98' ' ' TRP . . . -72.95 -170.29 0.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 0.766 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.1 m -145.46 125.08 13.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.15 . . . . 0.0 110.395 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.48 ' NE2' ' HG3' ' A' ' 108' ' ' PRO . 20.2 t60 -60.24 95.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.596 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -131.55 65.63 76.44 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 110.02 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.566 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.2 Cg_endo -75.01 170.0 21.39 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.572 1.827 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.566 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.2 Cg_endo -75.0 -13.65 23.5 Favored 'Cis proline' 0 C--N 1.36 1.174 0 C-N-CA 120.969 -2.513 . . . . 0.0 110.996 -0.003 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.472 ' O ' HG23 ' A' ' 95' ' ' VAL . 36.5 p -55.89 -84.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.41 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -80.32 146.69 31.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.509 HD21 ' HB3' ' A' ' 108' ' ' PRO . 16.3 mt -141.25 160.09 40.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 64.7 t -129.86 124.59 59.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.523 ' NE1' ' HB3' ' A' ' 116' ' ' ALA . 7.2 t90 -87.41 99.42 11.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 107.985 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.48 -43.79 18.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.523 ' HB3' ' NE1' ' A' ' 114' ' ' TRP . . . -43.46 -41.97 4.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.516 ' HB2' ' CD2' ' A' ' 114' ' ' TRP . 1.6 mm-40 -104.39 170.48 7.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.52 HD22 HG22 ' A' ' 119' ' ' THR . 0.2 OUTLIER -113.99 -12.54 12.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.52 HG22 HD22 ' A' ' 118' ' ' ASN . 7.8 t -173.3 148.13 1.6 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.38 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 58.8 m95 -70.11 -35.45 74.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 107.98 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.423 ' C ' ' ND2' ' A' ' 73' ' ' ASN . . . 127.33 137.33 4.48 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 1.6 p -119.05 -173.47 2.5 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 119.87 170.22 14.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.483 1.115 . . . . 0.0 111.01 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 90.1 p -66.28 -56.83 9.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 110.023 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.675 ' HA ' HG13 ' A' ' 144' ' ' VAL . 24.0 m -84.97 122.5 29.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.031 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.444 HD22 HD22 ' A' ' 73' ' ' ASN . 0.5 OUTLIER -139.75 154.28 47.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -160.19 128.56 4.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.411 ' OG1' ' NH1' ' A' ' 71' ' ' ARG . 13.6 m -123.38 155.91 36.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.393 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -150.63 158.23 43.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' ' 68' ' ' GLN . 13.7 tp -123.77 130.73 53.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.57 HD13 ' HA ' ' A' ' 137' ' ' GLU . 29.8 mm -110.99 146.97 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 133' ' ' SER . 7.0 p30 -101.15 -171.19 1.95 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.253 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 132' ' ' ASN . 4.1 p -36.29 -55.43 0.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.001 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 136' ' ' GLU . 60.9 p -83.02 159.42 22.18 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.548 1.155 . . . . 0.0 110.386 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -68.55 59.4 0.46 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . 0.499 ' O ' HG23 ' A' ' 131' ' ' ILE . 13.6 tt0 -138.1 146.94 43.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 110.32 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.57 ' HA ' HD13 ' A' ' 131' ' ' ILE . 2.6 tm-20 -88.24 144.11 26.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 37' ' ' SER . 2.8 m -111.74 -35.04 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -147.0 158.96 44.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -142.12 153.53 44.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.816 ' HG3' ' HB2' ' A' ' 34' ' ' ALA . 10.1 ttt85 -140.26 95.7 2.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.636 ' HB3' ' CD2' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -84.96 148.82 26.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.436 1.085 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.942 HD22 ' HB3' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -156.38 98.99 1.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 109.28 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.675 HG13 ' HA ' ' A' ' 125' ' ' SER . 33.8 t -122.71 130.08 74.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . 0.562 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 40.0 ttt180 -82.95 130.82 35.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.66 105.26 1.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.046 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -152.85 158.46 27.9 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.455 1.097 . . . . 0.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 130.67 13.49 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.481 1.779 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.89 -57.56 1.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.033 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.83 80.62 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.991 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.532 1.145 . . . . 0.0 110.978 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.29 169.47 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 0.751 . . . . 0.0 110.012 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.98 166.63 6.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.985 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.93 158.2 9.18 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.39 140.09 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 0.772 . . . . 0.0 110.006 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.36 171.98 1.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.025 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.42 139.38 2.66 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.507 1.13 . . . . 0.0 111.032 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -172.63 155.77 3.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 t -167.72 151.83 6.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.021 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -174.63 168.31 3.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.15 159.21 9.26 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.3 155.12 6.32 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 166.11 133.95 1.6 Allowed Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.79 132.14 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 0.745 . . . . 0.0 109.985 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.1 p -172.91 153.07 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.6 t -170.79 161.92 7.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.411 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.02 115.61 0.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.25 110.18 1.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.69 -66.42 0.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.287 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 ttpp -166.34 92.4 0.48 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.09 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -175.85 128.58 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -148.9 -60.73 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.7 p -175.53 164.45 3.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.033 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.7 t -123.34 -49.98 1.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.037 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 65.09 -83.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.34 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.69 149.97 44.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.981 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -128.27 90.8 3.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.271 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.7 t 41.03 89.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.143 . . . . 0.0 110.022 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 30' ' ' PHE . 15.7 m -145.57 88.58 1.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.984 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.581 ' CE1' ' HG3' ' A' ' 145' ' ' ARG . 7.4 m-30 58.69 151.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 144' ' ' VAL . 3.8 t -68.84 66.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.041 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 30' ' ' PHE . 26.5 mt-30 -42.94 150.17 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -155.52 74.98 0.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.624 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.403 ' HB2' ' HG3' ' A' ' 141' ' ' ARG . . . -90.67 160.27 15.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 109.345 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.92 103.07 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.269 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -87.51 147.27 25.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.42 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 138' ' ' VAL . 30.1 m -156.31 81.89 0.98 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 109.998 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 161.14 -138.31 5.39 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.452 1.095 . . . . 0.0 110.961 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.411 ' CB ' ' HB3' ' A' ' 58' ' ' SER . 8.2 mtm180 -103.7 -36.23 7.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 0.74 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 63.5 t -95.1 157.02 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -144.71 137.43 26.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.538 ' CG1' HG23 ' A' ' 45' ' ' VAL . 60.9 t -65.73 86.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 42' ' ' VAL . 7.0 tm-20 -37.82 -65.05 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -162.47 133.21 4.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.769 HG22 HG13 ' A' ' 52' ' ' VAL . 7.9 t -122.16 116.59 49.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -59.06 112.64 1.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.822 ' HB3' HD22 ' A' ' 143' ' ' LEU . 6.5 pt-20 -59.22 -29.07 67.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -63.44 -22.57 66.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 110.301 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.57 69.21 1.4 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.09 -51.73 1.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 0.789 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.57 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 35.4 p90 -148.37 155.67 41.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.769 HG13 HG22 ' A' ' 45' ' ' VAL . 37.6 t -119.82 116.18 49.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.507 ' CG ' HG23 ' A' ' 96' ' ' THR . 0.0 OUTLIER -98.5 122.17 41.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.29 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.587 HD11 HD13 ' A' ' 69' ' ' ILE . 11.0 mt -121.08 128.76 52.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -122.47 148.75 44.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.296 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 39.6 t-20 -92.68 150.23 20.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.23 -34.55 5.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.345 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.526 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 5.6 p -62.7 167.55 4.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 110.01 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.536 ' HA ' ' HB1' ' A' ' 91' ' ' ALA . 1.0 OUTLIER -101.35 -11.61 19.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -96.57 119.28 34.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 110.306 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -40.89 123.77 2.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.5 ' NE2' ' H ' ' A' ' 63' ' ' SER . 57.1 tp60 -90.41 138.52 31.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.261 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.5 ' H ' ' NE2' ' A' ' 62' ' ' GLN . 15.9 m -103.57 114.81 29.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.996 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.52 ' HA ' ' CD1' ' A' ' 67' ' ' TRP . 9.1 mtp -105.96 45.11 0.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.528 ' O ' ' ND2' ' A' ' 66' ' ' ASN . . . -87.17 54.7 4.54 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.512 1.133 . . . . 0.0 111.039 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.528 ' ND2' ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER 154.9 -23.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 0.779 . . . . 0.0 109.289 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.52 ' CD1' ' HA ' ' A' ' 64' ' ' MET . 11.3 m0 -45.66 166.74 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 108.032 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -149.3 168.53 23.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.911 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 2.2 mt -130.65 114.86 29.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 129' ' ' ALA . 55.6 mtt-85 -90.84 128.63 36.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.25 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.413 ' HB3' ' CG ' ' A' ' 79' ' ' MET . 0.1 OUTLIER -133.9 109.39 9.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.48 ' HB2' HD13 ' A' ' 78' ' ' LEU . 3.2 tm0? -117.47 129.68 55.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.236 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.4 ' ND2' ' C ' ' A' ' 121' ' ' GLY . 1.2 m-20 -125.13 148.84 48.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -48.97 136.45 19.85 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.546 1.154 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.84 -67.53 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 0.798 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -43.5 158.18 0.25 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -178.4 4.13 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.496 1.788 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.48 HD13 ' HB2' ' A' ' 72' ' ' GLN . 15.7 tp -103.86 130.43 51.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.429 ' N ' HD12 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -119.09 146.69 44.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.581 1.176 . . . . 0.0 110.982 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 50.9 m -132.78 99.68 4.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.369 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.42 ' CD1' HD12 ' A' ' 69' ' ' ILE . 55.2 t80 -77.57 99.13 5.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 111.036 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -83.97 121.39 27.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.911 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 28.9 m-85 -68.67 164.83 41.86 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.491 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.2 Cg_endo -75.07 145.1 30.81 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.429 1.752 . . . . 0.0 110.947 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.483 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.4 Cg_endo -74.98 34.69 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.532 1.806 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.491 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.0 OUTLIER -152.19 26.8 0.61 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -114.22 138.71 50.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -139.32 116.92 11.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.395 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 56.3 tp -89.61 98.84 12.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.563 1.164 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.48 167.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.352 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.536 ' HB1' ' HA ' ' A' ' 59' ' ' ASN . . . -76.91 136.93 38.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.23 6.41 64.96 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.2 173.38 8.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 0.756 . . . . 0.0 110.286 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 11.9 p -143.31 157.88 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 1.1 p -145.07 140.42 22.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.507 HG23 ' CG ' ' A' ' 53' ' ' ARG . 1.4 m -113.75 132.14 55.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.463 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.55 HD12 ' O ' ' A' ' 52' ' ' VAL . 4.3 mp -117.05 83.6 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.634 ' CG ' ' CB ' ' A' ' 104' ' ' ALA . 42.4 m95 -70.36 164.31 24.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 108.034 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -109.31 136.93 47.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.5 t -39.62 -31.74 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.028 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 118' ' ' ASN . . . -97.1 59.3 1.16 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.466 1.103 . . . . 0.0 111.021 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -143.52 -47.39 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.788 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 109.96 9.54 24.2 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.634 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -65.21 -170.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 0.792 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -137.64 122.59 18.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.394 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.468 ' NE2' ' HG3' ' A' ' 108' ' ' PRO . 19.0 t60 -57.58 93.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.585 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 111' ' ' ASP . 0.5 OUTLIER -128.78 68.68 79.3 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 110.014 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.564 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.3 Cg_endo -74.94 169.66 22.12 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.564 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -75.02 -11.01 24.33 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 121.039 -2.484 . . . . 0.0 110.995 0.007 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 41.8 p -60.35 -90.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.396 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 107' ' ' SER . 18.9 m-20 -72.64 142.59 48.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.563 HD21 ' HB3' ' A' ' 108' ' ' PRO . 15.2 mt -138.88 165.4 27.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 72.6 t -135.04 123.56 40.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.251 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.777 ' HE1' ' HB3' ' A' ' 116' ' ' ALA . 5.9 t90 -85.87 101.41 12.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 107.991 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.83 -39.77 29.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.777 ' HB3' ' HE1' ' A' ' 114' ' ' TRP . . . -52.24 -32.75 38.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.158 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.428 ' HB2' ' CD2' ' A' ' 114' ' ' TRP . 29.2 mm100 -119.62 169.7 9.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.422 ' O ' ' N ' ' A' ' 101' ' ' GLY . 0.4 OUTLIER -114.1 -26.71 7.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 10.0 t -152.45 146.15 25.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.16 . . . . 0.0 110.425 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.573 ' CE2' ' CG2' ' A' ' 52' ' ' VAL . 53.2 m95 -67.05 -15.13 63.53 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.4 ' C ' ' ND2' ' A' ' 73' ' ' ASN . . . 106.4 161.01 22.36 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.458 1.099 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.476 ' HA ' ' CD2' ' A' ' 126' ' ' LEU . 0.9 OUTLIER -161.88 176.58 10.68 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 125' ' ' SER . . . 138.45 44.06 0.08 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 68.18 -64.01 0.31 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 0.769 . . . . 0.0 109.952 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.515 ' O ' HD23 ' A' ' 126' ' ' LEU . 25.3 p -84.72 133.35 34.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.105 . . . . 0.0 110.013 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.515 HD23 ' O ' ' A' ' 125' ' ' SER . 0.5 OUTLIER -144.54 155.67 43.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -156.11 100.56 2.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.283 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 29.6 m -98.06 163.53 12.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.425 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -164.42 152.56 12.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.456 HD23 HG23 ' A' ' 138' ' ' VAL . 14.2 tp -117.85 130.54 56.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.7 HD13 ' HA ' ' A' ' 137' ' ' GLU . 19.2 mm -116.46 146.49 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.409 ' ND2' ' O ' ' A' ' 136' ' ' GLU . 7.8 p30 -92.83 -171.7 2.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.446 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . 1.4 t -44.83 -41.7 7.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.052 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 136' ' ' GLU . 5.5 p -91.95 159.05 15.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.416 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -67.4 62.51 0.26 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.51 1.131 . . . . 0.0 111.031 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . 0.464 ' O ' HG23 ' A' ' 131' ' ' ILE . 18.2 tt0 -143.08 135.78 27.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 0.76 . . . . 0.0 110.33 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.7 ' HA ' HD13 ' A' ' 131' ' ' ILE . 4.0 tt0 -82.96 145.82 29.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 110.323 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 37' ' ' SER . 1.7 m -113.14 -35.32 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -144.08 157.88 44.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 17.3 ptm -142.84 143.74 32.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 110.997 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.468 ' HD2' ' CG1' ' A' ' 42' ' ' VAL . 7.8 ttt85 -131.05 82.57 2.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.438 ' HE2' ' CG2' ' A' ' 144' ' ' VAL . 32.1 tttt -78.82 147.68 33.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.822 HD22 ' HB3' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -149.97 116.66 5.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 31' ' ' SER . 32.3 t -122.22 124.35 70.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . 0.581 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 57.4 ttt180 -77.34 148.48 35.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 1.4 m -119.83 113.39 20.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.97 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -160.41 160.14 31.49 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -52.05 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.451 1.764 . . . . 0.0 111.055 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 4.3 t 61.59 86.09 0.11 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 110.04 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 98.8 p -112.78 129.2 56.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.979 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.553 1.158 . . . . 0.0 111.015 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.8 p -174.58 123.98 0.28 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 0.793 . . . . 0.0 109.976 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.03 168.51 6.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 109.984 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.03 -165.85 14.61 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.453 1.096 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.77 170.44 3.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 0.758 . . . . 0.0 109.94 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.2 t -139.12 167.75 21.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.02 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.67 148.19 6.72 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.483 1.114 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -170.33 133.98 1.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 0.739 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.6 m -147.54 169.61 19.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 110.035 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.97 165.87 19.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -122.57 -153.19 8.77 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.473 1.108 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -163.01 -140.55 2.9 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 151.98 120.36 0.87 Allowed Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.14 158.22 21.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 110.046 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.7 p -148.83 146.88 17.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.5 t -161.35 138.01 8.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.386 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -60.34 167.03 2.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.34 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -162.62 175.27 11.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.1 ttt180 60.03 100.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.318 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -167.94 97.13 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -54.1 166.28 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -177.51 -60.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.273 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.75 138.08 33.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 110.023 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.7 m -111.93 -59.28 2.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.052 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -51.87 147.61 6.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.418 1.073 . . . . 0.0 110.331 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.8 p -140.71 154.86 46.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.028 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -118.05 148.7 42.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 91.1 p -70.49 80.46 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 110.021 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.437 ' O ' ' O ' ' A' ' 30' ' ' PHE . 75.3 m -167.69 92.64 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.006 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.538 ' CD1' ' HA ' ' A' ' 145' ' ' ARG . 10.0 m-30 57.98 148.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.511 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 33.8 m -72.19 68.16 0.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.976 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.57 ' HG2' HD11 ' A' ' 143' ' ' LEU . 62.5 mt-30 -42.97 142.56 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.511 ' CD2' ' O ' ' A' ' 31' ' ' SER . 68.1 m-70 -155.47 74.6 0.9 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.616 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.64 ' HB2' ' HG3' ' A' ' 141' ' ' ARG . . . -101.29 157.09 17.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -151.59 112.61 4.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -86.1 147.52 26.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.435 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.2 OUTLIER -155.94 81.78 1.01 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.989 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 156.81 -134.96 4.23 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.143 . . . . 0.0 111.038 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.6 mtm-85 -105.53 -41.88 5.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 0.746 . . . . 0.0 110.292 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.466 HG23 ' HG2' ' A' ' 62' ' ' GLN . 89.6 t -93.16 147.41 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -134.26 139.5 45.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.269 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.571 ' CG1' HG23 ' A' ' 45' ' ' VAL . 44.9 t -66.89 87.46 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 42' ' ' VAL . 7.5 tp10 -37.67 -72.81 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 110.308 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -153.8 132.61 12.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.82 HG22 HG13 ' A' ' 52' ' ' VAL . 9.6 t -119.51 103.78 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -42.41 112.34 0.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.556 ' O ' HD13 ' A' ' 126' ' ' LEU . 5.0 pt-20 -58.44 -35.51 72.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.258 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -61.26 -25.06 66.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.289 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.09 71.53 1.3 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -127.17 -45.26 1.55 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 0.754 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.522 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 35.2 p90 -155.46 155.34 33.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 111.038 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.82 HG13 HG22 ' A' ' 45' ' ' VAL . 26.0 t -118.89 113.02 40.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.58 ' HG3' HG23 ' A' ' 96' ' ' THR . 0.0 OUTLIER -98.4 124.27 42.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.279 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.799 HD11 ' CD1' ' A' ' 69' ' ' ILE . 10.8 mt -120.11 133.75 55.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.56 147.43 49.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.439 ' OD1' ' N ' ' A' ' 57' ' ' LYS . 52.7 t-20 -90.55 147.97 23.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.439 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 4.7 mmtp -112.51 -33.45 6.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.326 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.5 t -61.57 165.65 4.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 110.013 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.462 ' C ' ' CB ' ' A' ' 91' ' ' ALA . 1.1 p-10 -97.0 -18.27 19.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -93.65 128.73 39.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 110.269 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.51 132.57 6.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.466 ' HG2' HG23 ' A' ' 40' ' ' VAL . 36.1 tp60 -101.75 134.84 44.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.332 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.439 ' H ' ' NE2' ' A' ' 62' ' ' GLN . 48.0 t -99.33 126.3 45.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.099 . . . . 0.0 110.006 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.489 ' HA ' ' CD1' ' A' ' 67' ' ' TRP . 13.2 mtp -119.57 43.58 2.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.502 ' CA ' ' HA ' ' A' ' 85' ' ' PRO . . . -85.13 54.65 4.91 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.505 1.128 . . . . 0.0 110.944 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER 157.51 -25.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 0.729 . . . . 0.0 109.261 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.489 ' CD1' ' HA ' ' A' ' 64' ' ' MET . 12.6 m0 -43.07 163.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 108.022 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -149.88 169.36 21.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.282 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.799 ' CD1' HD11 ' A' ' 54' ' ' LEU . 11.5 mt -130.07 115.17 31.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 57.3 mtt-85 -86.31 131.1 34.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 110.323 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.409 ' O ' ' HA ' ' A' ' 78' ' ' LEU . 4.1 tpt180 -126.92 104.65 8.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.461 ' HB2' HD13 ' A' ' 78' ' ' LEU . 0.7 OUTLIER -123.65 93.51 3.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.323 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.495 ' HB2' HD23 ' A' ' 126' ' ' LEU . 8.6 p30 -107.26 140.19 40.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 73' ' ' ASN . . . 37.61 -144.24 0.18 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.499 1.124 . . . . 0.0 110.984 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -99.02 52.97 0.97 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 0.773 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.464 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 0.4 OUTLIER -109.76 175.98 1.72 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.464 ' CD ' ' CB ' ' A' ' 76' ' ' ASP . 18.1 Cg_endo -75.07 114.55 4.04 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.528 1.804 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.461 HD13 ' HB2' ' A' ' 72' ' ' GLN . 2.9 tp -61.34 120.89 11.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -105.52 134.31 48.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.6 m -115.38 94.16 4.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.368 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.479 ' CE2' HG21 ' A' ' 97' ' ' ILE . 63.6 t80 -74.23 95.2 2.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.5 ttt180 -80.27 121.2 25.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.539 ' CE2' HD11 ' A' ' 69' ' ' ILE . 19.7 m-85 -66.33 166.7 15.66 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.511 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.4 Cg_endo -75.0 144.97 30.86 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.535 1.808 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.502 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.2 Cg_endo -75.03 25.79 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.499 1.789 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.511 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.0 OUTLIER -144.3 35.0 1.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.147 . . . . 0.0 109.317 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.426 ' CZ ' HG21 ' A' ' 95' ' ' VAL . 18.6 t80 -120.57 130.87 54.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.416 HG22 ' O ' ' A' ' 88' ' ' THR . 0.8 OUTLIER -130.21 108.0 9.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.373 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 62' ' ' GLN . 54.0 tp -82.21 94.71 7.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 89' ' ' LEU . 38.5 mtmt -47.44 173.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.462 ' CB ' ' C ' ' A' ' 59' ' ' ASN . . . -85.01 132.5 34.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.26 9.67 86.68 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.506 1.129 . . . . 0.0 110.953 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.424 ' NE2' ' O ' ' A' ' 91' ' ' ALA . 1.4 mp0 -94.95 175.16 6.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 0.748 . . . . 0.0 110.323 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.9 p -144.39 160.17 15.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 110' ' ' THR . 6.5 p -147.95 147.12 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.58 HG23 ' HG3' ' A' ' 53' ' ' ARG . 9.2 m -120.66 131.95 54.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.469 1.105 . . . . 0.0 110.4 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.526 HD12 ' O ' ' A' ' 52' ' ' VAL . 4.1 mp -117.48 81.98 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.522 ' CE3' ' HB3' ' A' ' 51' ' ' PHE . 37.4 m95 -66.94 166.62 13.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 107.975 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.538 ' O ' ' HB3' ' A' ' 102' ' ' ALA . . . -111.22 142.94 42.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 99' ' ' ALA . 4.2 t -37.43 -59.04 0.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.987 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 118' ' ' ASN . . . -47.09 -48.77 19.41 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 99' ' ' ALA . . . -41.79 -43.69 3.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 0.763 . . . . 0.0 109.281 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 76.19 23.84 70.26 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.534 1.146 . . . . 0.0 111.02 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.61 -159.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 0.786 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -126.95 116.94 21.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.388 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.472 ' CE1' HD23 ' A' ' 112' ' ' LEU . 10.0 t60 -58.83 111.57 1.33 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.625 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.481 ' CB ' ' HB2' ' A' ' 111' ' ' ASP . 0.4 OUTLIER -141.48 68.18 25.53 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.026 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.53 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.4 Cg_endo -75.01 169.16 23.24 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.525 1.802 . . . . 0.0 111.001 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.53 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.5 Cg_endo -74.95 -10.62 24.07 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 121.034 -2.486 . . . . 0.0 111.027 0.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.675 ' O ' HG23 ' A' ' 95' ' ' VAL . 33.3 p -60.87 -88.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.373 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.481 ' HB2' ' CB ' ' A' ' 107' ' ' SER . 13.8 m-20 -67.39 144.38 55.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.33 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.476 ' CD2' ' HB3' ' A' ' 108' ' ' PRO . 26.7 mt -141.81 151.2 42.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 47.1 t -122.21 119.51 58.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.51 ' CD2' ' HB2' ' A' ' 117' ' ' GLN . 5.1 t90 -80.23 99.17 7.69 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.14 -43.88 18.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -45.64 -51.91 11.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.544 ' NE2' ' H ' ' A' ' 119' ' ' THR . 0.1 OUTLIER -90.67 176.4 6.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.403 ' O ' ' N ' ' A' ' 101' ' ' GLY . 3.5 p30 -116.01 -31.91 5.57 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.544 ' H ' ' NE2' ' A' ' 117' ' ' GLN . 13.1 t -160.44 128.51 4.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.379 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.421 ' CD1' ' HB2' ' A' ' 99' ' ' ALA . 54.3 m95 -45.55 -42.18 10.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 108.027 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 135.84 133.3 3.21 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.507 1.13 . . . . 0.0 111.049 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 4.0 p -113.41 -172.18 2.02 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 126.99 -156.65 20.34 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.2 p -108.62 -32.05 7.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 0.785 . . . . 0.0 110.029 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 32.9 p -113.15 119.44 37.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.98 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.556 HD13 ' O ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -135.52 150.61 49.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -150.45 108.4 3.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.115 . . . . 0.0 110.33 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 5.7 m -108.49 141.7 39.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.418 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -137.66 145.27 42.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.532 HD23 HG23 ' A' ' 138' ' ' VAL . 14.9 tp -103.96 131.57 51.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.748 HD13 ' HA ' ' A' ' 137' ' ' GLU . 24.2 mm -117.3 146.28 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.536 HD22 HG13 ' A' ' 138' ' ' VAL . 9.9 p30 -97.71 -170.94 2.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 132' ' ' ASN . 0.4 OUTLIER -36.73 -59.64 0.66 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 136' ' ' GLU . 51.8 p -79.49 160.24 26.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -68.19 60.96 0.4 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.469 1.105 . . . . 0.0 110.963 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . 0.492 ' O ' HG23 ' A' ' 131' ' ' ILE . 15.0 tt0 -137.11 138.56 40.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 0.787 . . . . 0.0 110.29 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.748 ' HA ' HD13 ' A' ' 131' ' ' ILE . 4.0 tm-20 -84.54 142.98 29.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.281 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.536 HG13 HD22 ' A' ' 132' ' ' ASN . 2.9 m -112.81 -36.78 2.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -141.03 161.53 37.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 17.1 ptm -143.46 157.54 44.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.64 ' HG3' ' HB2' ' A' ' 34' ' ' ALA . 4.8 ttm-85 -147.49 87.38 1.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.334 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.45 ' O ' HD22 ' A' ' 143' ' ' LEU . 36.3 tttt -85.02 125.88 33.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.57 HD11 ' HG2' ' A' ' 32' ' ' GLN . 1.3 mm? -123.02 116.21 23.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 31' ' ' SER . 2.9 t -121.23 132.56 70.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . 0.538 ' HA ' ' CD1' ' A' ' 30' ' ' PHE . 72.7 ttt180 -86.95 148.86 25.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.307 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.26 136.17 33.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 110.026 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -158.06 -171.21 23.7 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.465 1.103 . . . . 0.0 110.986 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -55.06 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.514 1.797 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 7.1 m -63.18 130.9 46.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.009 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 16.8 t -143.79 -58.08 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.967 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.9 t -178.18 125.06 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 110.049 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.7 p -179.21 171.19 1.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.026 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.61 160.99 26.6 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.13 164.04 1.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 0.787 . . . . 0.0 109.976 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.2 t -179.1 135.03 0.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.994 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.69 94.97 0.1 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.485 1.115 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -143.15 165.91 26.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 0.734 . . . . 0.0 110.306 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 81.8 p -158.24 153.53 25.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.051 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -124.83 172.28 9.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.322 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -171.95 178.09 44.36 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.55 1.156 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -170.63 -167.34 30.88 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 162.15 176.93 34.75 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.16 160.69 15.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 0.744 . . . . 0.0 110.004 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.7 m -130.08 61.09 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.675 ' O ' HG23 ' A' ' 16' ' ' THR . 15.0 t -115.77 57.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.398 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -168.91 171.35 8.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.39 150.21 27.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -120.98 137.24 54.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.6 170.78 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.9 tp -149.74 -64.73 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 62.4 85.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.9 m -74.4 155.84 37.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.007 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.4 m -67.45 96.53 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.007 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -164.68 86.91 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.3 m -104.47 -59.31 1.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.994 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 59.41 157.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 110.306 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 88.1 p -90.76 117.17 29.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.948 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 30' ' ' PHE . 15.1 p 176.3 94.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.996 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.588 ' CD1' ' HA ' ' A' ' 145' ' ' ARG . 9.5 m-30 57.75 154.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 110.962 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.548 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 48.9 m -78.25 68.97 4.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.024 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.553 ' HG2' HD21 ' A' ' 143' ' ' LEU . 42.1 mt-30 -37.92 144.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.548 ' CD2' ' O ' ' A' ' 31' ' ' SER . 58.8 m-70 -157.41 73.37 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 109.61 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.665 ' HB2' ' HG3' ' A' ' 141' ' ' ARG . . . -102.47 166.36 10.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.33 108.97 1.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.27 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.99 147.76 26.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.384 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 138' ' ' VAL . 4.8 m -156.44 81.94 0.97 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.102 . . . . 0.0 109.986 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 157.08 -138.66 6.0 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.491 1.119 . . . . 0.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.456 ' CG ' ' HB3' ' A' ' 58' ' ' SER . 7.8 mtm180 -102.11 -39.08 7.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 0.77 . . . . 0.0 110.276 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 88.3 t -89.33 156.3 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.17 136.65 25.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.829 ' HA ' HD23 ' A' ' 54' ' ' LEU . 47.9 t -64.48 87.19 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -39.58 -59.61 1.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.285 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -170.88 135.46 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.822 HG22 HG13 ' A' ' 52' ' ' VAL . 10.5 t -122.12 116.95 50.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -50.73 108.09 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.48 ' O ' ' CD1' ' A' ' 126' ' ' LEU . 8.0 pt-20 -56.55 -31.23 63.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -67.03 -26.4 66.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.328 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.5 81.34 1.38 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.593 ' HD2' ' HB1' ' A' ' 102' ' ' ALA . 2.2 mmmt -139.71 -49.93 0.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.574 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 49.5 p90 -148.31 157.71 43.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.822 HG13 HG22 ' A' ' 45' ' ' VAL . 52.4 t -120.16 109.42 25.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.73 126.46 36.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.257 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.829 HD23 ' HA ' ' A' ' 42' ' ' VAL . 33.3 mt -125.32 125.44 43.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.513 ' CG ' HG22 ' A' ' 94' ' ' VAL . 25.7 ttp180 -119.83 146.54 45.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -89.63 145.89 24.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.26 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.85 -34.96 6.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.456 ' HB3' ' CG ' ' A' ' 39' ' ' ARG . 84.0 p -61.55 165.65 4.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 110.007 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.458 ' HA ' ' HB1' ' A' ' 91' ' ' ALA . 0.5 OUTLIER -103.81 13.14 33.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 0.0 109.343 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -125.13 131.74 53.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -47.3 119.97 2.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 50.5 tp60 -94.28 114.2 26.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.343 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 89.8 p -71.34 121.77 19.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.019 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 43.8 mtp -115.14 46.03 1.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.516 ' CA ' ' HA ' ' A' ' 85' ' ' PRO . . . -91.81 55.35 3.0 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.479 1.112 . . . . 0.0 110.967 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.465 ' ND2' ' O ' ' A' ' 65' ' ' GLY . 0.3 OUTLIER 159.46 -28.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 0.787 . . . . 0.0 109.275 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 11.2 m0 -43.98 161.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 108.029 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -146.05 169.91 17.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 1.09 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 4.7 mt -129.7 115.84 35.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.402 ' HB2' ' HB3' ' A' ' 129' ' ' ALA . 38.6 mtt-85 -89.6 139.56 30.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.421 ' NH1' ' HB3' ' A' ' 120' ' ' TRP . 0.4 OUTLIER -140.33 102.03 4.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 110.296 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.643 ' HB2' HD13 ' A' ' 78' ' ' LEU . 0.8 OUTLIER -114.46 105.92 13.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.16 . . . . 0.0 110.263 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.42 ' OD1' ' NE ' ' A' ' 71' ' ' ARG . 41.4 m-20 -105.61 149.12 26.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 75' ' ' ASP . . . -59.35 153.06 32.59 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 74' ' ' GLY . 28.4 m-20 40.38 58.3 2.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 0.767 . . . . 0.0 109.274 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -175.62 162.56 2.11 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.452 1.095 . . . . 0.0 109.346 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 162.84 36.42 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.482 1.78 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.643 HD13 ' HB2' ' A' ' 72' ' ' GLN . 10.7 tp -100.47 127.26 46.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -112.16 155.86 23.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 17.8 m -140.64 98.59 3.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 110.425 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -77.33 98.76 5.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.967 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.4 ttp85 -83.47 113.76 21.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 1.09 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 37.5 m-85 -59.07 164.74 4.16 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.163 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.511 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.3 Cg_endo -75.0 145.89 31.99 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.493 1.786 . . . . 0.0 110.993 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.516 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.3 Cg_endo -75.02 25.45 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.478 1.778 . . . . 0.0 111.023 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.511 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.7 OUTLIER -144.18 38.76 1.3 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -128.45 135.12 49.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -134.6 111.13 9.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 90' ' ' LYS . 33.7 tp -81.93 96.8 7.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 89' ' ' LEU . 1.0 OUTLIER -47.82 173.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.458 ' HB1' ' HA ' ' A' ' 59' ' ' ASN . . . -81.22 139.77 35.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 67.54 7.99 49.57 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.403 ' NE2' ' O ' ' A' ' 91' ' ' ALA . 0.4 OUTLIER -87.65 175.6 7.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 0.76 . . . . 0.0 110.289 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.513 HG22 ' CG ' ' A' ' 55' ' ' ARG . 19.6 t -147.59 145.76 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.6 p -133.57 138.39 51.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 112' ' ' LEU . 2.0 m -111.67 126.22 54.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 110.414 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.462 ' N ' HD12 ' A' ' 97' ' ' ILE . 4.8 mp -111.64 85.84 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.574 ' CE3' ' HB3' ' A' ' 51' ' ' PHE . 53.0 m95 -71.22 165.9 22.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 107.996 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 100' ' ' SER . . . -106.69 141.17 38.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.103 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 99' ' ' ALA . 4.4 t -37.09 -46.2 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.002 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -99.98 75.13 0.46 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.518 1.136 . . . . 0.0 111.033 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.593 ' HB1' ' HD2' ' A' ' 50' ' ' LYS . . . -161.08 27.96 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 0.746 . . . . 0.0 109.301 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 102' ' ' ALA . . . 35.04 52.32 0.87 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.482 1.114 . . . . 0.0 110.97 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.461 ' CB ' ' CB ' ' A' ' 98' ' ' TRP . . . -99.81 -158.47 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 0.79 . . . . 0.0 109.353 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.3 m -158.42 122.1 3.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.43 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.505 ' NE2' ' HG3' ' A' ' 108' ' ' PRO . 21.3 t60 -62.81 94.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.157 . . . . 0.0 109.626 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -130.04 65.5 75.53 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.032 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.579 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.3 Cg_endo -74.99 170.55 20.18 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.531 1.806 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.579 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -75.01 -13.05 23.86 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 120.998 -2.501 . . . . 0.0 110.979 -0.004 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 71.7 p -57.0 -85.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.41 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -79.05 145.01 34.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.52 HD21 ' HB3' ' A' ' 108' ' ' PRO . 16.1 mt -139.28 161.86 36.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 54.6 t -128.17 121.6 56.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.651 ' NE1' ' HB3' ' A' ' 116' ' ' ALA . 6.5 t90 -81.55 100.29 9.29 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -79.67 -42.28 25.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.651 ' HB3' ' NE1' ' A' ' 114' ' ' TRP . . . -45.88 -53.46 9.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.521 ' HB2' ' CE2' ' A' ' 114' ' ' TRP . 0.1 OUTLIER -97.55 175.86 6.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.419 ' HA ' ' HB3' ' A' ' 100' ' ' SER . 4.1 p30 -113.2 -24.45 9.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.439 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 14.9 t -162.34 149.29 13.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.374 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.591 ' CE2' ' CG2' ' A' ' 52' ' ' VAL . 60.7 m95 -66.0 -33.25 75.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 107.972 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 126.05 138.67 4.93 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 8.9 p -122.64 -170.78 2.15 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 132.72 -121.03 2.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 110.962 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 58.2 p -137.71 -50.24 0.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 110.007 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 71.0 m -107.73 110.27 22.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.018 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.48 ' CD1' ' O ' ' A' ' 47' ' ' GLU . 0.5 OUTLIER -122.7 155.42 36.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.257 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -143.89 116.75 8.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 110.332 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 15.3 m -108.09 151.61 25.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.103 . . . . 0.0 110.411 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.402 ' HB3' ' HB2' ' A' ' 70' ' ' ARG . . . -150.33 152.09 33.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.364 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.461 HD23 HG23 ' A' ' 138' ' ' VAL . 14.0 tp -118.69 130.42 55.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.54 HG23 ' O ' ' A' ' 136' ' ' GLU . 19.0 mm -111.9 146.77 16.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.604 ' ND2' HG13 ' A' ' 138' ' ' VAL . 0.7 OUTLIER -100.88 -175.11 2.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 132' ' ' ASN . 1.1 p -34.12 -53.27 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.007 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 136' ' ' GLU . 43.0 p -85.22 158.72 20.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 110.431 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -67.83 61.99 0.33 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.549 1.156 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . 0.54 ' O ' HG23 ' A' ' 131' ' ' ILE . 16.7 tt0 -139.07 147.48 42.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 0.789 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.444 ' HA ' HD13 ' A' ' 131' ' ' ILE . 1.1 tt0 -91.0 141.37 28.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.33 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.604 HG13 ' ND2' ' A' ' 132' ' ' ASN . 1.9 m -108.95 -34.79 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.274 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -150.83 157.56 43.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 14.5 ptm -144.26 150.48 37.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 110.97 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.665 ' HG3' ' HB2' ' A' ' 34' ' ' ALA . 0.1 OUTLIER -134.94 97.5 3.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.288 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 39.8 tttt -92.66 120.81 33.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.352 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.553 HD21 ' HG2' ' A' ' 32' ' ' GLN . 1.0 OUTLIER -115.02 109.27 17.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.465 ' O ' ' N ' ' A' ' 31' ' ' SER . 3.0 t -111.11 125.71 68.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . 0.588 ' HA ' ' CD1' ' A' ' 30' ' ' PHE . 73.7 ttt180 -82.92 141.35 32.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.323 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 4.0 t -91.97 140.87 29.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.026 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 134.34 158.99 8.68 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 0.0 110.964 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.05 164.14 33.86 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.534 1.807 . . . . 0.0 111.021 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 46.1 m -142.57 -59.87 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 110.031 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.48 130.84 38.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.994 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.537 1.148 . . . . 0.0 111.021 179.957 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.4 p -166.93 167.22 14.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 0.733 . . . . 0.0 109.998 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.21 168.69 2.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.994 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.77 -171.9 44.85 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.71 108.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 0.786 . . . . 0.0 109.961 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.7 p -175.26 144.51 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.969 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.22 67.8 0.31 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.46 1.1 . . . . 0.0 111.044 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -43.74 165.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 0.796 . . . . 0.0 110.316 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.7 p -161.26 109.71 1.54 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.002 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -127.0 136.06 51.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 110.338 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.12 158.67 41.51 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.526 1.141 . . . . 0.0 111.013 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -147.86 172.8 28.11 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -175.7 -154.7 11.71 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.0 p -161.38 143.24 11.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 0.753 . . . . 0.0 110.025 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.475 HG13 ' HB2' ' A' ' 18' ' ' LYS . 8.9 p -46.55 167.04 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.433 ' N ' HG22 ' A' ' 15' ' ' VAL . 11.8 t -91.96 122.38 34.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.416 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp 56.56 95.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.475 ' HB2' HG13 ' A' ' 15' ' ' VAL . 2.1 tptp -167.78 131.16 1.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.69 -71.39 0.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -162.46 116.27 1.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -151.52 121.0 6.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 64.75 151.84 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.6 t -143.41 131.94 22.34 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.153 . . . . 0.0 109.992 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.2 141.24 0.55 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -132.19 103.75 6.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 m -69.7 152.75 44.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.985 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.99 94.82 10.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.9 m 52.18 84.35 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.031 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.5 m -170.94 151.52 3.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.988 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.579 ' CE1' ' HB2' ' A' ' 145' ' ' ARG . 9.2 m-30 -44.04 141.65 1.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 144' ' ' VAL . 3.2 t -68.12 65.84 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 110.006 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.63 ' HG2' HD21 ' A' ' 143' ' ' LEU . 38.5 mt-30 -42.25 135.91 2.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.574 1.171 . . . . 0.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.956 ' NE2' HG23 ' A' ' 144' ' ' VAL . 0.2 OUTLIER -154.42 86.45 1.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.602 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.496 ' CB ' ' HA ' ' A' ' 141' ' ' ARG . . . -109.24 158.68 17.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.087 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.22 110.04 4.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.415 HG21 ' HB2' ' A' ' 41' ' ' ALA . 0.9 OUTLIER -89.58 147.55 23.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 110.379 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 138' ' ' VAL . 4.9 m -156.0 82.27 1.01 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.138 . . . . 0.0 110.01 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 162.34 -142.04 7.66 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.517 1.136 . . . . 0.0 110.99 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.476 ' CB ' ' HB2' ' A' ' 58' ' ' SER . 9.8 mtm180 -99.01 -34.07 10.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.778 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.571 HG23 ' HG2' ' A' ' 62' ' ' GLN . 96.4 t -97.43 167.71 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.542 ' N ' HG12 ' A' ' 40' ' ' VAL . . . -152.22 142.09 22.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.761 ' HA ' HD23 ' A' ' 54' ' ' LEU . 58.8 t -68.99 86.52 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 42' ' ' VAL . 0.1 OUTLIER -38.79 -66.23 0.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 110.34 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -161.78 129.71 4.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.301 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.753 HG22 HG13 ' A' ' 52' ' ' VAL . 8.2 t -116.52 104.76 17.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -43.61 113.22 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.262 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.453 ' O ' ' CD1' ' A' ' 126' ' ' LEU . 5.0 pt-20 -56.32 -36.93 69.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.3 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -58.37 -23.02 55.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.49 62.87 1.83 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.531 1.144 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.1 mtmm -117.52 -49.67 2.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 0.745 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.461 ' CB ' ' HA ' ' A' ' 98' ' ' TRP . 44.7 p90 -148.6 158.72 44.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.753 HG13 HG22 ' A' ' 45' ' ' VAL . 24.6 t -121.05 113.72 40.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -96.45 123.19 40.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 0.0 110.277 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.761 HD23 ' HA ' ' A' ' 42' ' ' VAL . 23.4 mt -117.51 127.67 54.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.4 ' CB ' ' HB2' ' A' ' 43' ' ' GLU . 27.2 ttp180 -118.45 148.97 42.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.458 ' OD1' ' N ' ' A' ' 58' ' ' SER . 41.2 t-20 -96.57 133.93 40.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -104.33 -27.52 11.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.344 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.674 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 13.1 t -64.33 163.26 13.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.972 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.427 ' C ' ' CB ' ' A' ' 91' ' ' ALA . 4.6 t30 -96.16 -19.13 19.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.419 ' CG ' ' HD3' ' A' ' 39' ' ' ARG . 2.2 pt-20 -96.56 123.24 40.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -40.08 128.78 2.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.571 ' HG2' HG23 ' A' ' 40' ' ' VAL . 39.1 tp60 -96.12 124.27 40.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.327 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.414 ' N ' ' NE2' ' A' ' 62' ' ' GLN . 2.4 m -89.59 110.03 20.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 15.1 mtp -105.02 41.67 1.31 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.464 1.103 . . . . 0.0 111.005 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.54 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -83.56 58.89 5.01 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.54 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 1.2 m120 153.54 -27.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 0.0 109.318 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.563 ' CG ' ' HA ' ' A' ' 132' ' ' ASN . 18.6 m0 -42.42 161.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 108.014 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -141.24 173.86 11.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.326 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 1.106 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 7.5 mt -134.66 117.58 23.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.724 ' HB2' ' HB3' ' A' ' 129' ' ' ALA . 35.0 mtt-85 -88.98 145.51 25.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.259 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.438 ' NH1' ' OG1' ' A' ' 128' ' ' THR . 0.1 OUTLIER -146.37 110.03 4.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.445 ' CG ' ' HG ' ' A' ' 78' ' ' LEU . 5.1 tm0? -124.79 104.58 8.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.122 . . . . 0.0 110.31 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -101.98 147.74 26.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -52.56 140.67 28.94 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 111.005 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 43.54 53.57 5.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 0.747 . . . . 0.0 109.252 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -155.31 159.03 32.06 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 138.67 23.21 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.515 1.797 . . . . 0.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.592 HD23 ' N ' ' A' ' 79' ' ' MET . 1.4 tt -77.53 128.17 33.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.592 ' N ' HD23 ' A' ' 78' ' ' LEU . 0.5 OUTLIER -121.7 155.96 34.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 91.3 m -140.84 103.32 4.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.405 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.434 ' CD1' HD12 ' A' ' 69' ' ' ILE . 39.2 t80 -82.12 104.58 12.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 34.8 ttp85 -86.73 121.48 29.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.267 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 1.106 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 29.1 m-85 -67.31 166.23 22.56 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 111.043 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.507 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.2 Cg_endo -75.02 145.41 31.34 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.485 1.782 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.448 ' HA ' ' C ' ' A' ' 65' ' ' GLY . 18.2 Cg_endo -75.03 29.3 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.55 1.816 . . . . 0.0 111.008 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.507 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.0 OUTLIER -148.59 38.26 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -127.63 129.5 47.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.976 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.1 m -129.76 114.3 15.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.38 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 62' ' ' GLN . 54.9 tp -85.98 95.32 9.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.137 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -47.31 166.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.674 ' HB1' ' O ' ' A' ' 58' ' ' SER . . . -78.6 134.02 37.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 78.31 4.56 86.97 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 91' ' ' ALA . 0.8 OUTLIER -89.51 176.02 7.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 0.766 . . . . 0.0 110.254 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 13.1 p -144.27 158.97 15.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 110' ' ' THR . 12.9 p -146.93 151.2 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.349 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 112' ' ' LEU . 21.0 m -126.54 126.71 44.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 110.433 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.549 ' N ' HD12 ' A' ' 97' ' ' ILE . 4.1 mp -113.4 82.92 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.603 ' CG ' ' CB ' ' A' ' 104' ' ' ALA . 42.0 m95 -66.39 162.17 21.0 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.455 ' HB2' ' CD1' ' A' ' 120' ' ' TRP . . . -104.73 141.08 37.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 99' ' ' ALA . 3.8 t -37.67 -56.6 1.04 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.983 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 118' ' ' ASN . . . -42.15 -59.97 2.81 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.03 152.65 2.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 0.79 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -89.12 39.47 3.12 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.475 1.109 . . . . 0.0 111.034 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.603 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -70.07 173.48 6.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 0.794 . . . . 0.0 109.245 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -126.44 115.92 20.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.378 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.501 ' CE1' HD23 ' A' ' 112' ' ' LEU . 13.7 t60 -54.63 110.26 0.62 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.123 . . . . 0.0 109.578 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.48 ' CB ' ' HB2' ' A' ' 111' ' ' ASP . 0.4 OUTLIER -143.06 68.86 18.09 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.548 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.3 Cg_endo -74.98 169.13 23.31 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.552 1.817 . . . . 0.0 110.964 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.548 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -75.03 -12.95 23.96 Favored 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 120.983 -2.507 . . . . 0.0 111.019 -0.002 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.64 ' O ' HG23 ' A' ' 95' ' ' VAL . 44.3 p -58.06 -82.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.408 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.512 ' N ' ' OG1' ' A' ' 110' ' ' THR . 74.3 m-20 -73.7 148.78 42.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.501 HD23 ' CE1' ' A' ' 106' ' ' HIS . 44.9 mt -145.72 151.36 37.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 57.3 t -123.95 121.43 62.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.609 ' NE1' ' HB3' ' A' ' 116' ' ' ALA . 7.8 t90 -82.77 97.53 8.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 108.02 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.4 mtpp -78.46 -44.43 24.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.609 ' HB3' ' NE1' ' A' ' 114' ' ' TRP . . . -40.57 -55.57 2.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.515 ' HB2' ' CE2' ' A' ' 114' ' ' TRP . 0.7 OUTLIER -92.01 175.87 6.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 101' ' ' GLY . 3.8 p30 -114.41 -26.37 7.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.257 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.447 ' O ' ' NE2' ' A' ' 117' ' ' GLN . 14.6 t -161.72 129.47 4.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.434 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.455 ' CD1' ' HB2' ' A' ' 99' ' ' ALA . 50.5 m95 -47.04 -45.6 21.55 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 132.99 143.59 5.06 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 2.6 p -119.34 -172.98 2.42 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 127.42 143.59 5.78 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 145' ' ' ARG . 14.0 p -45.07 -33.33 2.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 0.743 . . . . 0.0 110.01 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.536 ' OG ' HG13 ' A' ' 144' ' ' VAL . 1.6 m -120.19 131.45 55.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.942 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.453 ' CD1' ' O ' ' A' ' 47' ' ' GLU . 0.4 OUTLIER -132.53 148.38 52.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 3.5 ttt-85 -136.4 107.67 6.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.288 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.438 ' OG1' ' NH1' ' A' ' 71' ' ' ARG . 29.7 m -113.88 144.94 42.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.391 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.724 ' HB3' ' HB2' ' A' ' 70' ' ' ARG . . . -142.58 158.51 43.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.118 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.483 HD23 HG23 ' A' ' 138' ' ' VAL . 13.6 tp -121.72 129.1 52.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.651 HD13 ' HA ' ' A' ' 137' ' ' GLU . 24.5 mm -110.38 148.79 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.563 ' HA ' ' CG ' ' A' ' 67' ' ' TRP . 6.2 p30 -100.81 -173.33 2.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.49 ' N ' ' CD1' ' A' ' 67' ' ' TRP . 6.4 p -37.72 -46.38 0.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 109.98 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 136' ' ' GLU . 60.3 p -90.75 159.25 16.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 110.376 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -68.75 60.4 0.49 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.517 1.135 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . 0.465 ' O ' ' ND2' ' A' ' 132' ' ' ASN . 6.2 tt0 -140.96 139.49 34.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.651 ' HA ' HD13 ' A' ' 131' ' ' ILE . 22.2 tt0 -80.57 140.53 35.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 110.251 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.483 HG23 HD23 ' A' ' 130' ' ' LEU . 2.5 m -111.81 -30.11 2.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.25 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -150.29 160.47 43.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 25.3 ptm -147.8 155.08 41.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.496 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 30.3 ttm-85 -143.09 106.84 4.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.622 ' CG ' ' CE1' ' A' ' 33' ' ' HIS . 17.5 tttt -98.59 133.56 42.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.63 HD21 ' HG2' ' A' ' 32' ' ' GLN . 1.3 mm? -127.8 105.87 8.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.956 HG23 ' NE2' ' A' ' 33' ' ' HIS . 23.4 t -113.56 136.94 48.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . 0.579 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 71.6 ttt180 -87.73 149.01 24.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 4.7 t -161.09 102.05 1.26 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.981 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -173.98 172.19 45.11 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 174.04 13.47 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.447 1.762 . . . . 0.0 111.033 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.28 135.58 15.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 110.026 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.02 115.29 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.964 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.535 1.147 . . . . 0.0 110.96 179.958 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.6 t -179.09 87.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 0.77 . . . . 0.0 110.001 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.37 138.96 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.004 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.41 105.37 0.19 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.534 1.146 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.3 t -152.38 137.26 17.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 0.779 . . . . 0.0 109.986 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.8 p -143.76 152.54 41.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.029 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.3 108.91 0.49 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.512 1.132 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -133.71 151.04 51.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 0.745 . . . . 0.0 110.36 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.7 t -161.47 156.24 23.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.971 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -170.78 164.89 8.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -146.58 100.1 0.22 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -149.7 -139.26 3.05 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 144.03 164.19 10.3 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.8 m -73.02 -59.2 2.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 0.732 . . . . 0.0 109.988 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 72.4 t 43.04 89.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.5 p -61.69 170.18 2.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 110.388 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -110.26 152.98 25.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.73 172.55 13.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.354 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 55.99 103.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 110.3 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.75 115.71 16.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.8 tp -149.74 139.26 21.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -158.91 146.26 17.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.8 m -128.05 146.9 50.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.017 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 56.1 p -102.33 68.57 1.08 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -102.49 130.4 49.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.28 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.6 m -81.62 -69.55 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.988 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 62.01 148.19 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 110.24 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.99 113.6 14.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.988 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.8 p -177.69 154.09 0.92 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.007 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.572 ' CE1' ' HG3' ' A' ' 145' ' ' ARG . 7.8 m-30 -39.23 152.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.934 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 144' ' ' VAL . 3.5 t -67.5 69.87 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.0 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.444 ' O ' ' CG ' ' A' ' 33' ' ' HIS . 53.2 mt-30 -48.63 148.29 2.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.444 ' CG ' ' O ' ' A' ' 32' ' ' GLN . 46.6 m-70 -162.57 78.86 0.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.578 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.481 ' CB ' ' HA ' ' A' ' 141' ' ' ARG . . . -102.18 160.19 14.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.53 108.34 2.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.359 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.3 149.34 26.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.393 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.5 OUTLIER -156.17 82.22 0.99 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 110.005 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 158.63 -140.41 6.91 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.458 ' CB ' ' HB3' ' A' ' 58' ' ' SER . 9.7 mtm180 -98.77 -39.42 8.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 0.787 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.518 HG12 ' N ' ' A' ' 41' ' ' ALA . 83.0 t -89.71 165.84 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.518 ' N ' HG12 ' A' ' 40' ' ' VAL . . . -152.45 132.6 13.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.428 ' CG1' ' HD2' ' A' ' 141' ' ' ARG . 92.1 t -61.14 89.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -42.72 -71.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 45' ' ' VAL . 1.4 tp10 -156.68 138.07 13.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.498 HG22 HG22 ' A' ' 52' ' ' VAL . 4.9 t -125.33 122.29 62.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.407 ' OD2' ' CE2' ' A' ' 51' ' ' PHE . 1.6 t0 -56.01 112.04 1.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.464 ' OE2' ' CZ ' ' A' ' 30' ' ' PHE . 4.6 pt-20 -57.31 -21.76 37.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 110.305 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -73.94 -27.05 60.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.335 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 88.11 61.58 1.48 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.6 mtpt -119.07 -44.21 2.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.0 109.271 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.626 ' CD2' ' CZ3' ' A' ' 98' ' ' TRP . 28.6 p90 -151.29 160.42 43.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.533 ' O ' HD12 ' A' ' 97' ' ' ILE . 3.8 t -124.04 113.83 38.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.422 1.076 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.508 ' HG3' HG23 ' A' ' 96' ' ' THR . 0.0 OUTLIER -97.36 122.75 40.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.292 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.415 HD13 HD13 ' A' ' 130' ' ' LEU . 12.1 mt -121.4 130.52 53.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.103 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -121.71 148.48 44.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 -91.51 141.38 28.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -108.18 -29.12 9.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.564 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 93.6 p -64.96 152.27 43.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -87.44 -12.29 46.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.345 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -99.28 131.9 44.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -43.96 133.76 4.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.573 ' NE2' ' CZ2' ' A' ' 67' ' ' TRP . 47.9 tp60 -106.24 120.75 42.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.7 p -90.49 118.99 30.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.0 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.496 ' HA ' ' CD1' ' A' ' 67' ' ' TRP . 14.4 mtp -109.63 45.89 1.05 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.139 . . . . 0.0 110.959 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.521 ' O ' ' ND2' ' A' ' 66' ' ' ASN . . . -86.7 56.75 4.69 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.521 ' ND2' ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER 154.54 -23.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 109.319 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.573 ' CZ2' ' NE2' ' A' ' 62' ' ' GLN . 12.3 m0 -44.79 165.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -149.51 172.5 14.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.351 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.94 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 9.0 mt -131.86 120.96 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.447 ' HB2' ' HB3' ' A' ' 129' ' ' ALA . 2.1 mtt-85 -97.37 119.98 36.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.329 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.498 ' CZ ' ' O ' ' A' ' 120' ' ' TRP . 15.7 tpt180 -126.6 118.29 24.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.936 ' HB2' HD13 ' A' ' 78' ' ' LEU . 14.6 tm0? -133.0 120.03 20.84 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.463 1.102 . . . . 0.0 110.292 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -119.34 140.49 50.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.157 . . . . 0.0 109.349 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -49.59 155.49 2.14 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 49.86 56.45 7.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 174.96 163.11 0.38 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -174.61 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.494 1.786 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.936 HD13 ' HB2' ' A' ' 72' ' ' GLN . 11.3 tp -114.33 126.63 55.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.414 ' CG ' ' HB3' ' A' ' 71' ' ' ARG . 0.1 OUTLIER -108.8 148.13 31.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 110.973 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 14.2 m -132.54 104.97 6.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.379 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.647 ' CD2' HD12 ' A' ' 69' ' ' ILE . 46.5 t80 -87.71 99.97 12.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 111.038 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.2 ttp-105 -82.26 120.97 26.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.94 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 22.9 m-85 -65.14 166.8 11.62 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.969 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.42 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 18.3 Cg_endo -75.0 149.03 36.09 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.481 1.78 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.49 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.2 Cg_endo -74.98 4.13 5.0 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.479 1.779 . . . . 0.0 110.967 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.12 48.76 2.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -129.12 134.81 48.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.9 m -134.79 106.7 7.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.447 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.403 ' HB2' ' SD ' ' A' ' 64' ' ' MET . 55.8 tp -85.92 93.6 8.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -44.87 166.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.263 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.564 ' HB1' ' O ' ' A' ' 58' ' ' SER . . . -78.49 134.25 37.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.73 6.79 87.21 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.491 1.119 . . . . 0.0 111.045 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' A' ' 91' ' ' ALA . 1.1 mp0 -92.59 169.78 10.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 110.303 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 12.5 p -140.32 158.42 25.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.5 p -147.66 145.23 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.508 HG23 ' HG3' ' A' ' 53' ' ' ARG . 13.7 m -118.36 127.54 53.78 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.108 . . . . 0.0 110.39 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.533 HD12 ' O ' ' A' ' 52' ' ' VAL . 4.1 mp -110.66 84.99 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.626 ' CZ3' ' CD2' ' A' ' 51' ' ' PHE . 27.0 m95 -71.89 165.22 24.59 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 101' ' ' GLY . . . -105.48 142.18 35.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 99' ' ' ALA . 13.4 t -38.47 -30.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.001 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 99' ' ' ALA . . . -112.22 65.27 0.26 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -147.91 23.92 1.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.775 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 39.6 38.4 1.03 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.141 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.461 ' CB ' ' CB ' ' A' ' 98' ' ' TRP . . . -91.74 -161.45 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 0.757 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -154.03 123.13 6.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.406 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.507 ' NE2' ' HG3' ' A' ' 108' ' ' PRO . 20.3 t60 -60.76 96.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.62 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.447 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 0.5 OUTLIER -133.83 62.48 58.31 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.014 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.584 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.4 Cg_endo -75.0 170.77 19.7 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.533 1.807 . . . . 0.0 110.999 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.584 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.2 Cg_endo -75.03 -14.38 23.19 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 121.001 -2.5 . . . . 0.0 110.983 0.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 107' ' ' SER . 62.1 p -53.64 -71.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.394 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 108' ' ' PRO . 3.2 m-20 -96.57 148.5 22.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.541 ' CD2' ' HB3' ' A' ' 108' ' ' PRO . 14.7 mt -142.0 157.82 44.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 57.0 t -127.6 125.79 66.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.747 ' NE1' ' HB3' ' A' ' 116' ' ' ALA . 6.1 t90 -82.86 102.15 11.45 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -78.78 -38.12 39.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.245 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.747 ' HB3' ' NE1' ' A' ' 114' ' ' TRP . . . -53.33 -49.56 66.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.517 ' HB2' ' CE2' ' A' ' 114' ' ' TRP . 0.8 OUTLIER -106.86 175.38 5.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 110.27 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -136.72 17.4 3.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 5.9 t -175.76 144.53 0.64 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.396 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.498 ' O ' ' CZ ' ' A' ' 71' ' ' ARG . 52.4 m95 -92.25 19.03 7.41 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.462 ' O ' ' NH2' ' A' ' 71' ' ' ARG . . . 70.27 128.67 0.06 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.132 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 26.2 p -112.62 -166.03 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 123.16 161.53 11.22 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.453 1.095 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.3 p -63.61 -22.85 67.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.74 . . . . 0.0 110.025 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 68.6 p -118.55 129.0 55.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.033 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.454 HD22 HH21 ' A' ' 71' ' ' ARG . 0.7 OUTLIER -139.87 147.82 41.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.405 ' HB2' ' NH1' ' A' ' 127' ' ' ARG . 18.8 ttm105 -148.57 97.99 2.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.294 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.419 ' OG1' ' HD3' ' A' ' 71' ' ' ARG . 3.3 m -91.97 157.14 16.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.08 . . . . 0.0 110.402 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.447 ' HB3' ' HB2' ' A' ' 70' ' ' ARG . . . -156.58 153.27 28.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.423 HD23 HG23 ' A' ' 138' ' ' VAL . 13.8 tp -120.75 131.6 54.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.824 HD13 ' HA ' ' A' ' 137' ' ' GLU . 23.5 mm -113.58 147.94 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 136' ' ' GLU . 7.9 p30 -98.66 -168.25 1.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.451 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . 0.1 OUTLIER -38.23 -59.6 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.023 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 136' ' ' GLU . 5.7 t -81.47 160.84 23.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 110.395 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -67.82 63.94 0.32 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.559 1.162 . . . . 0.0 111.039 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . 0.445 ' O ' ' ND2' ' A' ' 132' ' ' ASN . 17.0 tt0 -141.94 134.35 28.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 0.761 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.824 ' HA ' HD13 ' A' ' 131' ' ' ILE . 10.8 tt0 -76.81 143.57 39.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.571 1.169 . . . . 0.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 37' ' ' SER . 1.1 m -114.05 -33.96 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -144.65 157.29 44.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 13.7 ptm -140.43 154.34 46.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.481 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 18.0 ttm-85 -139.81 89.18 2.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 48.6 tttt -79.48 145.05 33.46 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 109.26 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.431 HD22 ' HB3' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -150.09 118.29 6.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.479 ' O ' ' N ' ' A' ' 31' ' ' SER . 5.0 t -126.83 124.05 64.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . 0.572 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 48.7 ttt85 -77.01 139.61 40.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 27.9 t -81.68 126.67 32.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.022 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 179.55 168.25 38.13 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.542 1.151 . . . . 0.0 110.957 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 157.8 42.75 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 111.04 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -135.03 102.74 5.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 80.6 p -169.03 135.55 1.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.01 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.531 1.145 . . . . 0.0 110.991 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t 67.28 144.9 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 0.776 . . . . 0.0 109.994 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.7 p 178.94 170.16 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.992 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.31 175.14 37.94 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.08 172.43 7.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 m -127.07 79.45 1.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.99 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 47.16 -174.6 0.01 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.509 1.13 . . . . 0.0 110.962 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 178.28 163.44 0.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 0.776 . . . . 0.0 110.243 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.5 t -168.4 115.87 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.974 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -138.88 157.53 45.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -144.05 179.21 21.54 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.531 1.144 . . . . 0.0 111.036 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 158.39 140.11 2.84 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -145.15 179.76 22.03 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.29 160.01 0.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 0.744 . . . . 0.0 110.002 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.4 m -113.37 -40.39 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.5 m 44.95 77.77 0.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.535 1.147 . . . . 0.0 110.426 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.67 135.29 53.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.1 tptm -130.11 175.63 8.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.34 160.68 32.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.31 79.16 4.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -171.68 107.08 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -48.43 141.64 6.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.282 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.7 p -135.24 -50.66 0.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.987 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.8 m 50.16 79.99 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.002 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -46.49 134.0 9.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.6 t -167.55 149.91 5.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.004 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 63.27 125.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.3 t -105.61 97.2 7.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.964 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 30' ' ' PHE . 6.8 p 176.65 88.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.017 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.551 ' CD1' ' HA ' ' A' ' 145' ' ' ARG . 7.3 m-30 58.79 150.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 144' ' ' VAL . 16.7 m -68.55 66.59 0.12 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.006 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 30' ' ' PHE . 44.2 mt-30 -45.83 149.03 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.268 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 39.0 m-70 -157.42 77.7 0.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.641 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -89.96 163.16 15.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.0 100.81 0.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.34 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.89 148.66 26.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 110.396 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.9 OUTLIER -156.03 81.94 1.0 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.015 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.68 -128.44 2.0 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.431 1.082 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.2 mtm-85 -114.61 -37.41 4.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 110.32 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.684 HG21 ' OE1' ' A' ' 62' ' ' GLN . 40.7 t -92.79 146.98 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -135.02 136.4 42.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.252 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.614 ' CG1' HG23 ' A' ' 45' ' ' VAL . 30.7 t -64.19 90.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.76 -69.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 110.308 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -156.02 127.63 7.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.847 HG22 HG13 ' A' ' 52' ' ' VAL . 9.1 t -117.36 110.16 30.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -50.53 112.41 0.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.335 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.713 ' HB3' HD22 ' A' ' 143' ' ' LEU . 7.7 pt-20 -59.96 -36.87 78.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.276 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -57.74 -23.86 54.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.285 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 85.04 67.04 1.42 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -123.77 -45.09 2.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 0.795 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.558 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 45.7 p90 -156.34 156.95 34.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.847 HG13 HG22 ' A' ' 45' ' ' VAL . 24.4 t -120.06 115.98 49.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.353 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.71 122.83 44.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.778 HD11 HD13 ' A' ' 69' ' ' ILE . 4.4 mt -120.5 136.29 54.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -127.65 147.69 50.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.267 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.442 ' OD1' ' N ' ' A' ' 57' ' ' LYS . 54.2 t-20 -89.43 143.66 26.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.09 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.442 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 3.1 mmtp -108.53 -28.83 9.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 72.3 p -61.26 174.1 0.75 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.96 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.478 ' C ' ' CB ' ' A' ' 91' ' ' ALA . 1.6 p30 -103.0 -18.68 14.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.45 ' C ' ' HB2' ' A' ' 91' ' ' ALA . 5.8 mt-10 -103.67 137.02 42.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.332 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.37 134.81 6.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.684 ' OE1' HG21 ' A' ' 40' ' ' VAL . 0.9 OUTLIER -95.3 126.91 40.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.478 ' N ' HE21 ' A' ' 62' ' ' GLN . 0.7 OUTLIER -88.67 92.12 9.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.997 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.597 ' HA ' ' CD1' ' A' ' 67' ' ' TRP . 4.9 mtp -88.63 53.19 2.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -89.77 115.79 4.62 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.5 OUTLIER 82.19 6.25 1.04 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 0.763 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.65 ' CZ2' ' NE2' ' A' ' 62' ' ' GLN . 11.3 m0 -67.96 169.35 10.12 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.531 ' O ' HD12 ' A' ' 130' ' ' LEU . 8.8 mt-30 -152.52 166.45 31.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.908 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 1.2 mt -132.95 107.4 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 129' ' ' ALA . 3.9 mtt-85 -75.5 146.53 40.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.369 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.408 ' CZ ' ' HB3' ' A' ' 120' ' ' TRP . 4.3 tpt180 -144.49 89.55 2.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.357 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.536 ' HB2' HD13 ' A' ' 78' ' ' LEU . 7.7 tm0? -97.91 107.31 19.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 0.0 110.296 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -108.15 149.39 28.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -70.04 147.5 44.69 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.526 1.141 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.7 t70 49.81 54.89 10.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 0.779 . . . . 0.0 109.335 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -179.67 167.32 0.82 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 164.56 33.13 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.551 1.817 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.536 HD13 ' HB2' ' A' ' 72' ' ' GLN . 6.1 tp -103.91 121.83 43.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -105.49 159.0 16.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.961 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.9 m -144.12 94.62 2.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.401 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -67.09 99.02 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.5 124.07 29.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.267 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.908 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 25.7 m-85 -75.61 168.68 25.57 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.441 ' HD2' ' HB3' ' A' ' 83' ' ' PHE . 18.4 Cg_endo -74.96 163.72 34.84 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.541 1.811 . . . . 0.0 111.026 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 0.37 8.98 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.506 1.793 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.07 68.62 1.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.794 ' HZ ' HG21 ' A' ' 95' ' ' VAL . 19.5 t80 -129.41 90.71 3.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.88 113.74 25.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.37 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 53.6 tp -94.35 95.77 9.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -41.06 160.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.251 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.478 ' CB ' ' C ' ' A' ' 59' ' ' ASN . . . -76.15 135.64 39.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.96 7.74 81.83 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -92.59 171.69 8.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 110.272 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.9 p -137.98 160.01 33.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.794 HG21 ' HZ ' ' A' ' 87' ' ' PHE . 2.3 p -145.99 136.9 18.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.421 ' O ' ' N ' ' A' ' 112' ' ' LEU . 33.3 m -111.54 131.05 55.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.378 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.534 HD12 ' O ' ' A' ' 52' ' ' VAL . 4.4 mp -116.32 82.07 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.649 ' CG ' ' CB ' ' A' ' 104' ' ' ALA . 47.0 m95 -67.16 162.42 22.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 107.989 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 100' ' ' SER . . . -107.48 142.67 36.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 99' ' ' ALA . 5.3 t -38.79 -45.95 1.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.98 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -49.04 -59.21 7.06 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.529 1.143 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.77 162.26 1.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 0.757 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -97.88 48.9 1.44 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.649 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -83.12 -172.66 4.26 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 0.742 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.27 125.78 19.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.411 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.486 ' NE2' ' HG3' ' A' ' 108' ' ' PRO . 19.8 t60 -59.6 94.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.578 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.76 68.58 79.07 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.563 ' HB3' HD21 ' A' ' 112' ' ' LEU . 18.4 Cg_endo -74.98 169.31 22.91 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.481 1.78 . . . . 0.0 111.03 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.556 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -75.04 -17.22 20.34 Favored 'Cis proline' 0 C--N 1.361 1.186 0 C-N-CA 120.946 -2.523 . . . . 0.0 110.98 0.053 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.678 ' O ' HG23 ' A' ' 95' ' ' VAL . 40.7 p -55.38 -88.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.437 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -72.12 147.68 46.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.681 HD11 ' HE2' ' A' ' 87' ' ' PHE . 16.9 mt -144.4 165.16 28.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 72.0 t -135.09 123.75 40.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.472 ' CD2' ' HB2' ' A' ' 117' ' ' GLN . 5.1 t90 -85.33 93.05 8.62 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -77.89 -37.6 47.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -52.3 -43.18 64.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.472 ' HB2' ' CD2' ' A' ' 114' ' ' TRP . 1.2 mm100 -105.26 175.01 5.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 110.274 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -114.91 -16.08 11.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 8.9 t -174.47 144.79 0.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.411 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.554 ' CE2' ' CG2' ' A' ' 52' ' ' VAL . 77.5 m95 -60.25 -17.96 45.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 107.988 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 103.54 163.02 25.26 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.49 ' HA ' ' CD2' ' A' ' 126' ' ' LEU . 1.2 p -159.07 -178.64 7.37 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 125' ' ' SER . . . 131.63 42.72 0.18 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.53 1.144 . . . . 0.0 110.944 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.452 ' CB ' ' HB3' ' A' ' 145' ' ' ARG . 0.1 OUTLIER 67.6 -65.93 0.22 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.499 0.764 . . . . 0.0 110.049 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 123' ' ' GLY . 22.4 p -76.42 122.84 25.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.997 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.49 ' CD2' ' HA ' ' A' ' 122' ' ' CYS . 0.7 OUTLIER -140.78 146.62 37.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 39.9 ttt180 -148.86 96.28 2.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.28 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 52.1 m -95.46 153.41 17.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 110.399 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 70' ' ' ARG . . . -158.85 156.35 29.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.776 HD23 ' CG2' ' A' ' 138' ' ' VAL . 13.3 tp -116.88 127.98 54.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.474 ' O ' ' N ' ' A' ' 68' ' ' GLN . 18.0 mm -115.92 113.52 43.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.777 HD22 HG13 ' A' ' 138' ' ' VAL . 0.9 OUTLIER -63.29 178.55 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 132' ' ' ASN . 0.0 OUTLIER -35.88 -50.0 0.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.965 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 136' ' ' GLU . 10.7 p -83.52 159.8 21.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 110.399 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -68.42 60.02 0.44 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.473 1.108 . . . . 0.0 110.957 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . 0.452 ' O ' ' ND2' ' A' ' 132' ' ' ASN . 20.1 tt0 -137.65 142.11 41.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.761 . . . . 0.0 110.257 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.457 ' HA ' ' O ' ' A' ' 130' ' ' LEU . 6.8 tt0 -90.71 140.03 30.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.259 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.777 HG13 HD22 ' A' ' 132' ' ' ASN . 2.9 m -109.04 -39.74 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.36 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -143.59 159.53 42.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 15.0 ptm -145.66 140.13 27.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.981 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 18.5 ttt85 -126.42 89.98 3.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.472 ' O ' HD12 ' A' ' 143' ' ' LEU . 75.0 tttt -82.14 150.19 27.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.713 HD22 ' HB3' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -157.0 116.82 3.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.469 ' O ' ' N ' ' A' ' 31' ' ' SER . 12.2 t -126.88 127.02 69.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . 0.551 ' HA ' ' CD1' ' A' ' 30' ' ' PHE . 71.5 ttt180 -77.29 151.0 35.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.302 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 1.3 t -96.3 120.44 36.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.001 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -172.84 173.84 45.63 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.53 1.143 . . . . 0.0 111.019 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 161.5 38.59 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.51 1.795 . . . . 0.0 110.968 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 36.2 t -104.46 108.25 19.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.03 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 7.8 p -116.01 120.2 38.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.976 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.515 1.135 . . . . 0.0 110.98 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t -175.92 159.64 2.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 0.758 . . . . 0.0 110.031 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -166.37 169.08 14.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.97 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.82 -172.37 19.86 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.452 1.095 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -178.02 170.68 1.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 0.758 . . . . 0.0 109.984 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.1 p -173.66 169.02 4.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.059 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.6 171.21 37.52 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.542 1.151 . . . . 0.0 110.983 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -177.02 169.84 2.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 0.794 . . . . 0.0 110.304 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.8 p -161.41 169.5 21.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.005 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.1 pm0 -172.01 157.86 4.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.302 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.08 178.62 37.83 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.486 1.116 . . . . 0.0 110.959 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -126.04 -173.88 13.72 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -171.92 -157.23 13.34 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.45 127.03 0.53 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 0.751 . . . . 0.0 109.998 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.7 m -108.65 141.62 23.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.1 t -174.47 157.96 2.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.404 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.95 113.45 10.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -149.66 128.26 12.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -93.89 106.29 18.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.21 134.27 0.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.5 -63.44 1.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -168.61 115.84 0.66 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.25 82.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 109.98 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.5 t 39.72 86.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.965 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -121.33 92.82 3.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.258 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.29 142.22 39.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.029 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.3 mtt-85 -143.05 109.69 5.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.304 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.13 -61.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.03 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.434 ' O ' ' O ' ' A' ' 30' ' ' PHE . 34.7 p -162.56 115.26 1.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 110.038 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.597 ' CD2' ' CD ' ' A' ' 47' ' ' GLU . 9.6 m-30 58.31 146.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 111.033 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 144' ' ' VAL . 4.3 t -67.49 68.92 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 110.012 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.685 ' HG2' HD11 ' A' ' 143' ' ' LEU . 26.0 mt-30 -52.65 130.06 31.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.624 ' CD2' ' HB3' ' A' ' 142' ' ' LYS . 0.0 OUTLIER -153.44 111.75 3.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 109.574 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.494 ' CB ' ' HA ' ' A' ' 141' ' ' ARG . . . -129.7 163.8 25.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -143.81 112.45 6.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 110.285 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -92.51 147.51 22.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 110.424 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.4 OUTLIER -155.68 81.76 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.038 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.9 -144.21 9.87 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.537 1.148 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.8 mtm-85 -97.75 -36.6 10.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 0.736 . . . . 0.0 110.333 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.578 HG22 ' OD1' ' A' ' 56' ' ' ASN . 95.5 t -95.39 160.34 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.723 ' HB3' ' HD3' ' A' ' 57' ' ' LYS . . . -147.33 153.4 39.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.509 ' CG1' HG23 ' A' ' 45' ' ' VAL . 13.6 t -78.74 88.56 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.22 -60.96 0.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.332 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -168.17 133.48 1.82 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.841 HG22 HG13 ' A' ' 52' ' ' VAL . 7.1 t -120.13 109.73 26.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -44.71 115.1 0.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.597 ' CD ' ' CD2' ' A' ' 30' ' ' PHE . 6.2 pt-20 -58.86 -35.79 73.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 110.302 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.99 -28.43 67.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.05 67.04 1.26 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.525 1.141 . . . . 0.0 111.01 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.467 ' HD2' ' CB ' ' A' ' 102' ' ' ALA . 0.1 OUTLIER -123.04 -52.25 1.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 0.808 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.573 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 27.5 p90 -144.13 156.71 44.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.841 HG13 HG22 ' A' ' 45' ' ' VAL . 44.8 t -118.24 114.61 45.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.16 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.533 ' HG3' HG23 ' A' ' 96' ' ' THR . 0.2 OUTLIER -97.27 128.22 43.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.247 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.414 HD11 HD13 ' A' ' 69' ' ' ILE . 6.6 mt -126.33 131.14 51.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -120.69 147.85 44.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.297 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.578 ' OD1' HG22 ' A' ' 40' ' ' VAL . 17.2 t-20 -98.47 109.88 22.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.723 ' HD3' ' HB3' ' A' ' 41' ' ' ALA . 0.8 OUTLIER -76.4 -36.25 58.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 84.0 p -59.16 153.79 17.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.022 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.43 ' HA ' ' HB1' ' A' ' 91' ' ' ALA . 0.5 OUTLIER -98.41 27.89 4.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.123 . . . . 0.0 109.274 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.433 ' C ' ' HB2' ' A' ' 91' ' ' ALA . 8.6 mm-40 -134.64 133.47 40.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -54.99 115.42 2.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.08 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.424 ' HG2' ' CH2' ' A' ' 67' ' ' TRP . 73.4 tp60 -100.52 118.89 37.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 110.34 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.64 145.06 43.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 109.965 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.442 ' HA ' ' CD1' ' A' ' 67' ' ' TRP . 0.3 OUTLIER -133.01 34.5 3.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.954 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.496 ' CA ' ' HA ' ' A' ' 85' ' ' PRO . . . -78.82 56.57 4.26 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER 158.04 -26.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.439 0.729 . . . . 0.0 109.352 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.442 ' CD1' ' HA ' ' A' ' 64' ' ' MET . 13.7 m0 -44.09 162.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 108.007 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -146.12 170.0 17.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.295 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 1.067 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 4.6 mt -132.34 118.28 35.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.43 ' NE ' HD21 ' A' ' 78' ' ' LEU . 0.3 OUTLIER -97.65 128.61 44.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.575 1.172 . . . . 0.0 110.268 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -131.06 121.38 24.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.489 ' HB2' HD13 ' A' ' 78' ' ' LEU . 0.8 OUTLIER -129.52 115.37 17.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.444 ' ND2' ' C ' ' A' ' 121' ' ' GLY . 0.8 OUTLIER -114.07 133.56 55.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.327 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 37.84 -139.45 0.53 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.63 73.97 2.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 109.33 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.43 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 0.2 OUTLIER -132.26 174.66 4.44 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.283 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.43 ' CD ' ' CB ' ' A' ' 76' ' ' ASP . 18.2 Cg_endo -74.98 114.03 3.93 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 110.999 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.489 HD13 ' HB2' ' A' ' 72' ' ' GLN . 10.0 tp -53.07 127.23 23.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.422 ' N ' HD12 ' A' ' 78' ' ' LEU . 0.3 OUTLIER -108.83 126.23 52.82 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.407 HG23 ' HG3' ' A' ' 70' ' ' ARG . 56.4 m -114.52 100.63 8.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.356 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.514 ' HB2' ' CH2' ' A' ' 114' ' ' TRP . 60.5 t80 -82.57 98.96 9.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -76.8 124.67 28.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 1.067 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 13.7 m-85 -68.68 167.85 17.45 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.418 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 18.3 Cg_endo -74.94 146.51 33.0 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.484 1.781 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.496 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.4 Cg_endo -74.97 11.61 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.536 1.809 . . . . 0.0 111.033 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.404 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.3 OUTLIER -132.83 47.54 2.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.487 ' HZ ' HG21 ' A' ' 95' ' ' VAL . 19.6 t80 -128.55 147.85 50.73 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.1 m -147.39 112.66 5.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 110.429 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 47.8 tp -84.06 98.09 9.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -49.59 170.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.433 ' HB2' ' C ' ' A' ' 60' ' ' GLU . . . -82.75 134.5 35.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 71.69 6.08 62.13 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -89.63 174.57 7.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 0.768 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 11.3 p -142.15 157.23 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 110' ' ' THR . 14.4 p -142.56 148.63 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 109.279 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.533 HG23 ' HG3' ' A' ' 53' ' ' ARG . 2.9 m -122.75 130.5 53.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.391 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.511 HD12 ' O ' ' A' ' 52' ' ' VAL . 4.6 mp -116.09 80.85 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.611 ' CG ' ' CB ' ' A' ' 104' ' ' ALA . 34.8 m95 -67.05 162.91 21.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 107.979 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.442 ' HB1' ' HA ' ' A' ' 119' ' ' THR . . . -107.94 145.11 34.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.2 t -38.83 -57.99 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -43.59 -53.45 6.06 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.467 ' CB ' ' HD2' ' A' ' 50' ' ' LYS . . . -54.83 148.05 13.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 0.754 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -88.46 42.68 3.08 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.531 1.145 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.611 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -76.99 174.61 10.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -125.69 116.02 21.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 110.396 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -53.26 111.5 0.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.589 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.494 ' CB ' ' HB2' ' A' ' 111' ' ' ASP . 0.2 OUTLIER -144.28 68.66 15.55 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.011 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.544 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.2 Cg_endo -74.97 169.76 21.91 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.514 1.797 . . . . 0.0 110.979 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.544 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -74.95 -10.11 23.97 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 121.041 -2.483 . . . . 0.0 110.998 -0.051 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.649 ' O ' HG23 ' A' ' 95' ' ' VAL . 34.4 p -60.96 -82.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 110.403 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.494 ' HB2' ' CB ' ' A' ' 107' ' ' SER . 77.9 m-20 -73.08 146.07 46.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.095 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.469 ' CD2' ' HB3' ' A' ' 108' ' ' PRO . 13.4 mt -143.92 149.07 36.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.336 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 53.9 t -122.13 117.61 52.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.571 ' HE1' ' HB3' ' A' ' 116' ' ' ALA . 6.4 t90 -79.45 99.08 7.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 108.017 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -80.78 -44.39 18.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.571 ' HB3' ' HE1' ' A' ' 114' ' ' TRP . . . -43.47 -43.84 5.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.486 ' HB2' ' CD2' ' A' ' 114' ' ' TRP . 0.9 OUTLIER -100.22 176.02 5.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.305 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -114.85 -20.39 10.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.442 ' HA ' ' HB1' ' A' ' 99' ' ' ALA . 9.1 t -170.22 156.93 6.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.42 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.406 ' CE2' HG23 ' A' ' 52' ' ' VAL . 61.3 m95 -75.16 -21.9 58.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 108.008 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.444 ' C ' ' ND2' ' A' ' 73' ' ' ASN . . . 108.61 145.94 11.71 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 6.0 p -118.05 -172.04 2.18 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 124.75 140.99 5.59 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 24.1 p -43.06 -46.91 5.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 109.996 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.0 m -100.41 127.12 46.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.143 . . . . 0.0 109.971 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.524 HD13 ' O ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -134.53 146.08 49.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -143.3 122.8 13.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 23.0 m -120.39 163.48 17.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.421 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -158.44 153.44 25.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.251 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.453 HD23 HG23 ' A' ' 138' ' ' VAL . 13.3 tp -120.82 131.0 54.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.417 HD13 ' HA ' ' A' ' 137' ' ' GLU . 12.7 mm -112.6 147.25 16.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.656 ' OD1' HG22 ' A' ' 134' ' ' THR . 7.2 p30 -101.44 -170.16 1.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 132' ' ' ASN . 6.9 p -34.28 -60.08 0.42 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.996 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.656 HG22 ' OD1' ' A' ' 132' ' ' ASN . 2.3 t -83.13 162.31 21.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 110.356 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -68.29 59.46 0.42 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.451 1.094 . . . . 0.0 111.004 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . 0.448 ' HB3' HG23 ' A' ' 134' ' ' THR . 20.9 tt0 -133.54 141.23 47.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 0.775 . . . . 0.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.433 ' HG2' ' N ' ' A' ' 138' ' ' VAL . 1.9 tt0 -87.68 141.94 28.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 37' ' ' SER . 3.3 m -109.62 -36.46 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -150.32 158.21 43.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 19.2 ptm -145.11 137.46 25.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.494 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 18.8 ttm-85 -118.17 117.61 29.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.253 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.624 ' HB3' ' CD2' ' A' ' 33' ' ' HIS . 10.5 tttt -108.13 131.64 54.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.685 HD11 ' HG2' ' A' ' 32' ' ' GLN . 1.0 OUTLIER -128.13 107.3 9.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.496 ' O ' ' N ' ' A' ' 31' ' ' SER . 2.4 t -115.51 133.27 62.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . 0.581 ' HA ' ' CD1' ' A' ' 30' ' ' PHE . 44.5 ttt180 -85.37 137.18 33.11 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 34.2 t -92.09 102.34 14.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.982 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -170.18 -144.21 4.23 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 159.02 41.97 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.478 1.778 . . . . 0.0 111.036 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.93 -61.11 1.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.018 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 98.1 p -160.92 94.91 1.04 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.029 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.4 t -179.96 103.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 0.767 . . . . 0.0 109.996 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -178.24 164.28 1.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.002 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.92 173.17 23.77 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.08 128.3 20.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 0.756 . . . . 0.0 109.98 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t -93.47 148.25 22.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 109.986 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -44.54 162.04 0.08 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.474 1.109 . . . . 0.0 110.973 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -157.01 86.02 0.96 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 0.748 . . . . 0.0 110.299 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.77 95.27 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.019 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.84 169.09 15.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -102.14 -119.63 4.58 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 141.14 162.63 9.2 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -125.17 -166.97 12.48 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -149.95 88.95 1.56 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 0.783 . . . . 0.0 110.019 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 68.2 t -123.1 90.27 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 67.2 p -101.92 116.45 32.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 110.422 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -165.6 136.6 3.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.86 119.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.2 mtm-85 -158.73 93.33 1.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.321 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.61 48.15 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.3 mt -121.76 134.25 54.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -166.85 147.47 5.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.262 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 92.4 p -152.78 132.48 13.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.042 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 72.8 m -143.99 129.51 19.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 110.015 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -120.1 153.34 36.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.304 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.61 -60.36 1.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.015 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -56.5 153.9 9.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 1.084 . . . . 0.0 110.325 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 t -178.79 141.38 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.018 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -88.59 155.12 19.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.955 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.598 ' CD2' ' OE1' ' A' ' 47' ' ' GLU . 7.9 m-30 58.37 152.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.478 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 25.2 m -68.21 66.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.992 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.479 ' NE2' ' NH1' ' A' ' 141' ' ' ARG . 0.1 OUTLIER -47.17 145.12 2.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.319 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.478 ' CD2' ' O ' ' A' ' 31' ' ' SER . 76.1 m-70 -155.85 74.71 0.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.61 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.492 ' HB2' ' HG3' ' A' ' 141' ' ' ARG . . . -103.97 151.86 22.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.255 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.0 mmt85 -153.91 117.27 4.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.252 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.485 HG21 ' HB2' ' A' ' 41' ' ' ALA . 0.9 OUTLIER -96.06 148.18 22.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.36 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 138' ' ' VAL . 5.6 m -156.25 82.11 0.99 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.95 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 164.62 -145.06 9.91 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -94.65 -39.41 10.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 0.793 . . . . 0.0 110.316 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.694 ' CG2' HD23 ' A' ' 89' ' ' LEU . 48.8 t -97.71 165.04 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.485 ' HB2' HG21 ' A' ' 36' ' ' THR . . . -145.41 158.06 43.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.457 ' CG1' HG23 ' A' ' 45' ' ' VAL . 20.6 t -82.72 85.15 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.245 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -39.6 -69.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.239 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -156.74 130.93 8.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.279 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.837 HG22 HG13 ' A' ' 52' ' ' VAL . 10.9 t -120.61 106.15 18.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.58 110.71 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.598 ' OE1' ' CD2' ' A' ' 30' ' ' PHE . 7.5 pt-20 -56.8 -36.81 70.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.326 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -58.81 -16.53 17.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.42 58.47 3.11 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.468 1.105 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.0 mtmm -111.26 -46.81 3.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 0.781 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.548 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 49.6 p90 -156.89 155.43 31.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 110.983 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.837 HG13 HG22 ' A' ' 45' ' ' VAL . 34.2 t -116.7 112.98 41.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.506 ' CG ' ' OG1' ' A' ' 96' ' ' THR . 0.0 OUTLIER -101.78 126.56 48.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.312 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.8 mt -121.64 134.54 54.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.348 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -121.37 150.25 41.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 110.263 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 58' ' ' SER . 31.6 t-20 -93.82 142.91 26.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -112.37 -32.31 6.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.25 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.47 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 1.4 t -61.1 169.78 1.9 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.546 1.153 . . . . 0.0 110.02 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.505 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 2.5 p30 -94.71 -26.12 16.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -97.92 136.9 37.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.322 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -42.71 157.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.678 ' HG3' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -119.26 100.6 7.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.279 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.489 ' N ' ' NE2' ' A' ' 62' ' ' GLN . 5.8 p -64.36 113.59 3.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.037 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -110.34 45.28 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.487 ' CA ' ' HA ' ' A' ' 85' ' ' PRO . . . -86.88 54.29 4.57 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER 157.77 -26.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 0.797 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.461 ' CE2' ' OE1' ' A' ' 62' ' ' GLN . 11.5 m0 -44.04 163.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 107.973 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.519 ' O ' HD12 ' A' ' 130' ' ' LEU . 7.6 mt-30 -147.82 171.92 14.96 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.894 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 4.2 mt -131.7 121.21 47.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.09 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.711 ' HB2' ' HB3' ' A' ' 129' ' ' ALA . 3.9 mtp85 -93.63 145.38 24.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.329 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.42 ' NH1' ' OG1' ' A' ' 128' ' ' THR . 0.1 OUTLIER -145.07 107.25 4.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -115.72 96.2 5.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -96.31 145.81 25.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -63.74 150.65 49.77 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.443 1.089 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.7 t0 49.49 37.36 12.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -156.48 160.64 30.61 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 164.81 32.61 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.483 1.78 . . . . 0.0 110.979 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 14.9 tp -94.71 126.58 40.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.1 mpp? -116.22 157.09 25.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.964 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 73.0 m -140.93 114.41 8.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.427 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.445 ' CD2' HD12 ' A' ' 69' ' ' ILE . 86.4 t80 -93.05 98.02 11.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.31 123.63 27.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.894 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 15.2 m-85 -69.94 166.43 32.83 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.988 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.473 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.3 Cg_endo -75.01 146.1 32.19 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.492 1.785 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.487 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.5 Cg_endo -74.97 18.27 0.54 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.477 1.777 . . . . 0.0 111.024 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.473 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.0 OUTLIER -140.34 43.38 1.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -123.39 149.16 45.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 m -149.4 112.68 4.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.428 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.694 HD23 ' CG2' ' A' ' 40' ' ' VAL . 44.6 tp -86.39 93.48 9.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -45.17 166.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 59' ' ' ASN . . . -79.46 135.85 36.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.33 3.02 64.49 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -88.02 175.3 7.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 0.758 . . . . 0.0 110.247 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.441 HG22 HH11 ' A' ' 53' ' ' ARG . 11.9 p -145.91 154.07 13.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.538 1.149 . . . . 0.0 109.254 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 110' ' ' THR . 8.6 p -141.2 146.39 23.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.506 ' OG1' ' CG ' ' A' ' 53' ' ' ARG . 93.0 m -120.0 131.68 55.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 110.415 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.483 HD12 ' O ' ' A' ' 52' ' ' VAL . 4.6 mp -117.54 79.89 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.548 ' CE3' ' HB3' ' A' ' 51' ' ' PHE . 43.7 m95 -64.17 164.85 10.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 108.008 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 100' ' ' SER . . . -109.89 144.42 38.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 99' ' ' ALA . 3.3 t -37.5 -59.31 0.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.994 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 118' ' ' ASN . . . -37.34 -65.77 0.59 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 111.034 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -48.5 150.56 1.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 0.754 . . . . 0.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -91.21 45.89 2.83 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.447 1.092 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.438 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -74.25 -177.95 3.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 0.763 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.49 115.77 16.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.447 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.45 ' CE1' HD23 ' A' ' 112' ' ' LEU . 11.5 t60 -55.03 109.72 0.56 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.614 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.488 ' CB ' ' HB2' ' A' ' 111' ' ' ASP . 0.3 OUTLIER -141.62 68.02 24.69 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.045 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.543 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.2 Cg_endo -75.01 169.25 23.03 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.504 1.791 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.543 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -75.04 -13.14 23.89 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 120.981 -2.508 . . . . 0.0 111.028 0.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.715 ' O ' HG23 ' A' ' 95' ' ' VAL . 44.8 p -57.37 -80.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.398 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.503 ' N ' ' OG1' ' A' ' 110' ' ' THR . 37.2 m-20 -75.78 148.15 38.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.476 ' CD2' ' HB3' ' A' ' 108' ' ' PRO . 36.9 mt -145.32 148.77 33.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 49.5 t -123.32 119.63 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.325 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.565 ' NE1' ' HB3' ' A' ' 116' ' ' ALA . 7.2 t90 -81.69 98.23 8.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 107.955 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -78.73 -45.9 20.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.341 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.565 ' HB3' ' NE1' ' A' ' 114' ' ' TRP . . . -40.06 -52.81 2.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.498 ' HB2' ' CD2' ' A' ' 114' ' ' TRP . 0.8 OUTLIER -91.84 175.86 6.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.117 . . . . 0.0 110.284 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.447 ' O ' ' N ' ' A' ' 101' ' ' GLY . 3.8 p30 -114.36 -26.54 7.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 11.6 t -164.4 134.5 4.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.152 . . . . 0.0 110.438 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 50.6 m95 -50.81 -36.65 38.28 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 119.74 137.67 5.53 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.536 1.147 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.578 ' C ' HD21 ' A' ' 126' ' ' LEU . 27.7 p -113.49 -157.71 0.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 109.46 152.92 14.68 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 55.2 p -55.42 -42.56 74.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 110.026 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 6.5 m -96.23 119.14 34.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.978 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.578 HD21 ' C ' ' A' ' 122' ' ' CYS . 0.5 OUTLIER -135.72 145.63 46.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -150.36 112.37 4.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.333 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.42 ' OG1' ' NH1' ' A' ' 71' ' ' ARG . 36.7 m -111.17 151.35 28.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.422 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.711 ' HB3' ' HB2' ' A' ' 70' ' ' ARG . . . -146.42 162.46 38.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.519 HD12 ' O ' ' A' ' 68' ' ' GLN . 12.5 tp -127.78 130.17 48.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.599 HG23 ' O ' ' A' ' 136' ' ' GLU . 20.0 mm -105.74 154.05 7.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.709 ' CG ' HG13 ' A' ' 138' ' ' VAL . 0.0 OUTLIER -110.51 -170.73 1.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 132' ' ' ASN . 24.1 p -36.49 -54.58 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.984 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 57.2 p -85.03 161.94 19.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 110.37 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -69.16 57.66 0.59 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.436 1.085 . . . . 0.0 111.027 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . 0.599 ' O ' HG23 ' A' ' 131' ' ' ILE . 21.1 tt0 -137.82 156.75 47.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.767 . . . . 0.0 110.356 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.448 ' N ' ' CG ' ' A' ' 136' ' ' GLU . 13.0 tt0 -95.36 136.19 36.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 110.272 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.709 HG13 ' CG ' ' A' ' 132' ' ' ASN . 1.9 m -111.41 -17.98 7.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -154.27 157.38 38.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 14.0 ptm -149.38 154.2 38.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.083 . . . . 0.0 111.005 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.492 ' HG3' ' HB2' ' A' ' 34' ' ' ALA . 13.7 ttm-85 -147.32 86.02 1.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.335 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 33.0 tttt -81.84 155.57 25.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.438 1.087 . . . . 0.0 109.287 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.564 HD22 ' HB3' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -158.13 111.84 2.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 31' ' ' SER . 3.9 t -122.36 124.37 70.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . 0.577 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 69.1 ttt180 -81.78 140.76 34.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 13.1 t -49.17 109.21 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.98 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -58.16 -169.43 0.19 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.472 1.107 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -51.59 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.518 1.799 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.1 m -144.79 160.31 41.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.978 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.42 145.72 50.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.996 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.49 1.119 . . . . 0.0 111.056 -179.971 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -138.78 98.97 3.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 0.734 . . . . 0.0 109.995 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.0 p -114.09 99.04 7.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.992 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.0 -98.97 0.15 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.499 1.125 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 m -92.66 87.8 6.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.768 . . . . 0.0 109.951 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 m -128.64 143.84 51.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.153 . . . . 0.0 109.995 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.9 88.47 0.39 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.5 1.125 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -162.46 169.62 20.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 0.737 . . . . 0.0 110.252 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.9 p -97.87 93.56 6.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.003 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -155.31 132.3 10.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 110.291 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.9 -69.52 0.82 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.459 1.1 . . . . 0.0 110.975 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 129.36 146.57 6.12 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -160.05 157.18 28.47 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 97.1 p -101.86 107.41 18.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 0.767 . . . . 0.0 109.977 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.2 p -71.76 163.57 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.4 m -108.53 136.54 47.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.38 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -79.19 147.96 32.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.62 123.79 48.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.243 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.6 mmt180 -69.66 145.7 52.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -117.39 95.44 4.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.6 tp -146.29 -63.99 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.333 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -134.45 -61.81 0.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.3 m 59.28 113.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.4 p -40.06 138.47 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.018 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.52 -60.0 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.35 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.5 m 60.89 168.84 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.087 . . . . 0.0 109.99 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -163.83 52.05 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m 64.83 162.64 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.032 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.442 ' O ' ' O ' ' A' ' 30' ' ' PHE . 13.6 p 50.84 87.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.022 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.584 ' CD2' ' CD ' ' A' ' 47' ' ' GLU . 9.5 m-30 57.72 147.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.991 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.508 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 45.1 m -69.73 70.04 0.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.012 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.546 ' HG2' HD21 ' A' ' 143' ' ' LEU . 69.6 mt-30 -43.37 142.41 1.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.28 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.508 ' CD2' ' O ' ' A' ' 31' ' ' SER . 61.9 m-70 -153.85 73.77 0.96 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.61 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.473 ' CB ' ' HA ' ' A' ' 141' ' ' ARG . . . -108.84 145.08 35.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.361 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 16.2 mmt85 -137.69 109.07 6.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.316 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.22 148.33 28.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.429 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 138' ' ' VAL . 1.3 m -155.81 81.96 1.02 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.435 1.085 . . . . 0.0 110.014 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.37 -134.16 3.63 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.583 1.177 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -106.49 -41.15 5.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 0.779 . . . . 0.0 110.336 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.537 HG23 ' HG2' ' A' ' 62' ' ' GLN . 97.7 t -94.19 152.0 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.84 145.8 42.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.353 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.57 ' CG1' HG23 ' A' ' 45' ' ' VAL . 47.2 t -72.66 86.1 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 42' ' ' VAL . 0.1 OUTLIER -37.24 -65.53 0.3 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -162.16 134.57 5.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.329 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.84 HG22 HG13 ' A' ' 52' ' ' VAL . 7.5 t -120.8 106.42 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -42.49 106.93 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.584 ' CD ' ' CD2' ' A' ' 30' ' ' PHE . 7.9 pt-20 -52.57 -40.66 62.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 110.267 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -54.34 -30.74 52.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 110.302 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 91.55 80.78 1.42 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.3 mtmt -139.59 -54.57 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 0.762 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.559 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 29.9 p90 -141.98 154.86 45.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.84 HG13 HG22 ' A' ' 45' ' ' VAL . 42.4 t -117.66 114.98 47.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.92 121.66 39.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.703 HD11 HD13 ' A' ' 69' ' ' ILE . 7.3 mt -119.34 131.38 55.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.429 ' NE ' ' HE2' ' A' ' 57' ' ' LYS . 0.3 OUTLIER -125.13 146.25 49.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -96.13 136.22 36.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.429 ' HE2' ' NE ' ' A' ' 55' ' ' ARG . 3.4 mmtt -105.12 -22.49 13.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.606 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 57.6 p -64.19 160.45 18.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.009 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.465 ' C ' ' CB ' ' A' ' 91' ' ' ALA . 2.9 t30 -88.05 -22.96 23.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -102.06 137.49 40.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -52.26 129.63 28.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.537 ' HG2' HG23 ' A' ' 40' ' ' VAL . 40.1 tp60 -99.26 114.92 28.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.9 t -76.63 120.92 22.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.995 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.564 ' HA ' ' CG ' ' A' ' 67' ' ' TRP . 20.1 mtp -100.86 44.22 1.02 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.472 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -77.63 114.2 3.94 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.5 OUTLIER 80.09 8.88 1.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 0.787 . . . . 0.0 109.278 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.564 ' CG ' ' HA ' ' A' ' 64' ' ' MET . 10.7 m0 -70.18 167.77 17.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 107.97 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.513 ' O ' HD12 ' A' ' 130' ' ' LEU . 2.7 mt-30 -148.61 169.1 21.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.283 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.96 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 2.0 mt -137.56 110.24 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 129' ' ' ALA . 0.7 OUTLIER -78.48 147.21 34.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 110.298 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.632 ' O ' HD12 ' A' ' 78' ' ' LEU . 5.0 tpp180 -149.79 118.82 6.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.326 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.423 ' HB2' HD13 ' A' ' 78' ' ' LEU . 8.0 tm0? -126.53 141.35 51.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.369 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -141.49 129.78 22.33 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 37.68 -134.43 1.05 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.487 1.117 . . . . 0.0 110.985 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -102.89 49.25 0.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 0.774 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.466 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 0.2 OUTLIER -106.85 176.56 1.6 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.466 ' CD ' ' CB ' ' A' ' 76' ' ' ASP . 18.4 Cg_endo -74.98 113.81 3.88 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.503 1.791 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.632 HD12 ' O ' ' A' ' 71' ' ' ARG . 7.3 tp -60.76 124.28 19.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -107.04 152.01 24.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 93.7 m -135.0 102.09 5.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.404 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -72.76 105.9 4.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 111.026 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -82.33 141.4 32.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.26 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.96 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 14.0 m-85 -92.81 168.85 11.57 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.514 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.2 Cg_endo -75.0 152.55 40.88 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.537 1.809 . . . . 0.0 110.981 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 30.19 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.431 1.753 . . . . 0.0 111.022 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.514 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.0 OUTLIER -166.05 59.91 0.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.41 ' HZ ' HG21 ' A' ' 95' ' ' VAL . 25.4 t80 -127.34 126.04 41.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.61 139.87 52.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.386 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.453 HD23 ' CG2' ' A' ' 40' ' ' VAL . 43.7 tp -118.27 91.14 3.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 89' ' ' LEU . 33.2 mtmt -42.91 165.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.606 ' HB1' ' O ' ' A' ' 58' ' ' SER . . . -81.72 133.93 35.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.22 6.08 85.92 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.431 1.082 . . . . 0.0 111.059 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -90.91 173.12 8.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 0.769 . . . . 0.0 110.356 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.0 p -141.22 158.78 22.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 110' ' ' THR . 9.6 p -143.06 149.01 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 112' ' ' LEU . 1.6 m -122.79 128.61 50.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.381 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.641 HD12 ' O ' ' A' ' 52' ' ' VAL . 4.0 mp -115.46 82.18 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.569 ' CG ' ' CB ' ' A' ' 104' ' ' ALA . 46.0 m95 -68.4 163.8 22.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 108.013 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 100' ' ' SER . . . -111.21 143.02 42.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 99' ' ' ALA . 3.6 t -37.57 -51.04 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.987 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 118' ' ' ASN . . . -83.4 59.61 4.96 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -137.66 -47.66 0.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 0.74 . . . . 0.0 109.298 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 103.71 20.4 10.85 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.529 1.143 . . . . 0.0 111.042 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.569 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -80.32 -171.04 2.81 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 0.763 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -134.46 122.25 22.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.442 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.463 ' NE2' ' HG3' ' A' ' 108' ' ' PRO . 22.3 t60 -56.75 93.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.593 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 111' ' ' ASP . 0.5 OUTLIER -125.26 72.68 66.03 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.03 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.564 ' HB3' HD21 ' A' ' 112' ' ' LEU . 18.2 Cg_endo -74.97 169.33 22.86 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.53 1.805 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.552 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.5 Cg_endo -74.91 -23.2 12.89 Favored 'Cis proline' 0 C--N 1.361 1.21 0 C-N-CA 121.009 -2.496 . . . . 0.0 111.01 -0.09 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.72 ' O ' HG23 ' A' ' 95' ' ' VAL . 42.7 p -53.87 -90.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.427 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 107' ' ' SER . 5.6 m-20 -63.72 142.1 58.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.564 HD21 ' HB3' ' A' ' 108' ' ' PRO . 17.0 mt -144.1 164.63 30.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 57.3 t -133.16 126.47 53.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.444 ' NE1' ' HB3' ' A' ' 116' ' ' ALA . 6.7 t90 -89.39 95.39 10.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 108.038 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 116' ' ' ALA . 20.1 mtpt -77.6 -47.22 19.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.444 ' HB3' ' NE1' ' A' ' 114' ' ' TRP . . . -39.83 -43.93 1.54 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.356 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.402 ' HB2' ' CE2' ' A' ' 114' ' ' TRP . 1.1 mm100 -104.08 176.03 5.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.42 ' O ' ' N ' ' A' ' 101' ' ' GLY . 3.8 p30 -114.2 -20.67 10.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 12.1 t -169.44 136.02 1.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.378 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.651 ' CE2' ' CG2' ' A' ' 52' ' ' VAL . 59.7 m95 -48.55 -40.11 25.9 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 126.76 142.76 5.7 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 2.3 p -114.59 -172.69 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 129.88 139.39 4.57 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 9.6 p -42.77 -34.47 0.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 0.768 . . . . 0.0 109.995 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -121.47 134.92 55.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.143 . . . . 0.0 110.026 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.446 ' CD1' ' O ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -135.06 150.47 50.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 1.6 ttp85 -139.77 105.92 5.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 24.1 m -107.38 159.52 16.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 110.423 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 70' ' ' ARG . . . -159.51 160.42 34.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.235 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.61 HD23 HG23 ' A' ' 138' ' ' VAL . 12.7 tp -123.97 133.03 53.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.522 HD13 ' HA ' ' A' ' 137' ' ' GLU . 13.6 mm -116.42 147.79 19.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.8 ' OD1' HG22 ' A' ' 134' ' ' THR . 7.8 p30 -100.53 -171.41 2.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 132' ' ' ASN . 24.0 p -36.05 -58.63 0.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.8 HG22 ' OD1' ' A' ' 132' ' ' ASN . 2.8 t -81.48 160.25 24.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.385 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -67.93 60.94 0.36 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 134' ' ' THR . 18.1 tt0 -137.56 139.51 40.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 0.0 110.3 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.522 ' HA ' HD13 ' A' ' 131' ' ' ILE . 24.6 tt0 -84.84 147.39 26.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.25 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.61 HG23 HD23 ' A' ' 130' ' ' LEU . 2.7 m -115.12 -36.25 2.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -144.07 157.51 44.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 14.1 ptm -138.38 146.5 42.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.473 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 25.9 ttm-85 -137.71 103.76 5.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.148 . . . . 0.0 110.234 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.526 ' O ' HD22 ' A' ' 143' ' ' LEU . 15.1 tttt -106.03 131.95 52.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.115 . . . . 0.0 109.322 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.546 HD21 ' HG2' ' A' ' 32' ' ' GLN . 1.1 mm? -121.56 119.55 32.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.346 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 31' ' ' SER . 3.3 t -115.95 137.82 48.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.255 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . 0.465 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 76.2 ttt180 -100.12 141.36 33.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 145' ' ' ARG . 5.1 m -43.89 -93.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.034 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 169.11 164.4 24.75 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.466 1.104 . . . . 0.0 111.034 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 134.77 18.14 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.531 1.806 . . . . 0.0 110.989 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 89.5 p -135.19 106.94 6.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.991 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 11.1 m -157.86 126.58 5.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.961 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.434 1.084 . . . . 0.0 110.994 180.0 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.9 p -171.07 140.54 1.54 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 0.777 . . . . 0.0 109.982 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.0 p -172.39 159.16 4.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.954 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.34 103.44 0.26 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.501 1.126 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.4 t -168.64 152.5 5.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 0.784 . . . . 0.0 109.97 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.2 p -136.37 165.48 25.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.054 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.71 146.34 4.86 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.427 1.079 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -173.37 155.99 2.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 0.76 . . . . 0.0 110.345 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.6 p -176.85 128.27 0.17 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.011 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -158.02 129.47 6.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -174.37 149.54 10.72 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -174.94 156.17 22.1 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 159.98 91.88 0.08 OUTLIER Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.84 134.9 5.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 0.0 110.02 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 62.9 t -73.74 143.57 13.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 75.8 p -121.52 67.91 0.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.387 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.66 -56.05 2.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 68.1 -78.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.344 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.03 95.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.27 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.99 141.76 51.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.6 mt -103.5 70.34 1.03 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 41.73 82.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.4 p -135.9 84.41 2.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.028 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.8 t -117.16 148.45 41.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.002 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -178.36 145.04 0.32 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 110.318 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.8 t 40.15 86.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.965 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -119.44 106.91 12.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.288 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.7 t -164.83 111.92 1.01 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.996 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.424 ' O ' ' O ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER 66.33 140.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.015 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.588 ' CD2' ' OE1' ' A' ' 47' ' ' GLU . 4.4 m-30 57.5 150.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 111.02 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.629 ' HB2' HG12 ' A' ' 144' ' ' VAL . 17.1 m -84.25 62.86 7.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.018 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -50.18 142.79 9.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.402 ' CD2' ' O ' ' A' ' 31' ' ' SER . 73.1 m-70 -155.63 81.78 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.625 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.561 ' HB2' ' HG3' ' A' ' 141' ' ' ARG . . . -100.36 161.71 13.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.87 106.33 1.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.0 149.25 26.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.395 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.2 OUTLIER -156.17 82.14 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.044 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 157.88 -137.47 5.32 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.548 1.155 . . . . 0.0 111.021 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.455 ' CG ' ' HB3' ' A' ' 58' ' ' SER . 5.1 mtm-85 -103.6 -38.27 7.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 0.753 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.559 HG23 ' HG2' ' A' ' 62' ' ' GLN . 65.6 t -92.52 160.97 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.419 ' N ' HG12 ' A' ' 40' ' ' VAL . . . -148.59 145.57 27.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.655 ' CG1' HG23 ' A' ' 45' ' ' VAL . 24.7 t -75.15 85.52 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.07 -62.03 0.69 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.343 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -163.63 132.33 3.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 110.319 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.872 HG22 HG13 ' A' ' 52' ' ' VAL . 6.8 t -119.71 102.78 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -44.12 109.18 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.588 ' OE1' ' CD2' ' A' ' 30' ' ' PHE . 7.0 pt-20 -56.14 -32.73 64.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -56.86 -35.05 68.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 94.92 64.22 0.99 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -124.01 -52.32 1.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 0.752 . . . . 0.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.568 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 33.1 p90 -146.17 156.11 43.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.872 HG13 HG22 ' A' ' 45' ' ' VAL . 25.2 t -119.1 114.99 46.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.89 125.76 40.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.337 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.62 HD11 HD13 ' A' ' 69' ' ' ILE . 5.7 mt -124.81 126.91 46.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.483 ' CG ' HG22 ' A' ' 94' ' ' VAL . 28.0 ttp180 -119.05 147.06 44.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.266 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 38.9 t-20 -93.25 136.74 33.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -103.26 -24.84 13.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.455 ' HB3' ' CG ' ' A' ' 39' ' ' ARG . 56.0 p -61.92 168.7 2.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 110.022 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.494 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 1.9 p30 -100.62 -26.5 13.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -93.62 131.99 38.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -44.37 117.99 1.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.559 ' HG2' HG23 ' A' ' 40' ' ' VAL . 63.2 tp60 -84.39 158.53 21.07 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.445 1.091 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.528 ' H ' ' NE2' ' A' ' 62' ' ' GLN . 35.6 t -124.64 121.95 36.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.024 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.588 ' HA ' ' CG ' ' A' ' 67' ' ' TRP . 13.6 mtp -106.05 46.24 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 111.011 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -78.98 113.07 3.59 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER 81.46 5.88 1.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 0.757 . . . . 0.0 109.276 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.588 ' CG ' ' HA ' ' A' ' 64' ' ' MET . 11.7 m0 -66.64 167.15 11.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 108.025 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -147.46 168.51 21.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.317 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.993 HD11 ' CE2' ' A' ' 83' ' ' PHE . 2.1 mt -135.77 111.69 12.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.452 ' HB2' ' HB3' ' A' ' 129' ' ' ALA . 26.5 mtt-85 -83.12 140.91 32.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.345 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.446 ' HB3' ' CG ' ' A' ' 79' ' ' MET . 0.7 OUTLIER -143.48 116.2 8.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.3 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.421 ' CG ' ' HG ' ' A' ' 78' ' ' LEU . 10.2 tm0? -129.72 134.22 47.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.414 ' ND2' ' HA3' ' A' ' 121' ' ' GLY . 4.5 p30 -142.55 135.07 27.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 73' ' ' ASN . . . 37.12 -147.49 0.07 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -94.38 69.73 3.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.757 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.473 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 0.3 OUTLIER -125.15 176.5 2.37 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.473 ' CD ' ' CB ' ' A' ' 76' ' ' ASP . 18.3 Cg_endo -74.97 114.49 4.04 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.523 1.802 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.623 HD23 ' N ' ' A' ' 79' ' ' MET . 1.4 tt -57.42 126.91 29.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.623 ' N ' HD23 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -114.1 155.7 25.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.985 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 69' ' ' ILE . 52.6 m -144.55 101.28 3.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.397 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -74.39 106.74 6.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 111.034 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -80.92 147.74 30.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 110.278 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.993 ' CE2' HD11 ' A' ' 69' ' ' ILE . 11.0 m-85 -102.3 170.02 6.88 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 111.047 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 18.2 Cg_endo -75.02 153.33 41.58 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.485 1.782 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 84' ' ' PRO . 18.4 Cg_endo -74.99 6.1 3.59 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.4 mmmt -140.16 66.37 1.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.468 ' HZ ' HG21 ' A' ' 95' ' ' VAL . 25.0 t80 -130.28 122.59 28.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -118.87 120.31 36.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.402 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 62' ' ' GLN . 58.9 tp -99.75 90.54 4.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -40.49 159.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 59' ' ' ASN . . . -75.97 133.38 40.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.346 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 76.66 3.83 79.87 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.3 -179.04 6.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.483 HG22 ' CG ' ' A' ' 55' ' ' ARG . 17.2 t -151.71 144.51 16.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 110' ' ' THR . 1.9 p -130.16 140.35 49.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 109.331 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 112' ' ' LEU . 1.3 m -111.96 132.99 54.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 110.388 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.514 ' N ' HD12 ' A' ' 97' ' ' ILE . 4.6 mp -117.27 81.61 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.601 ' CB ' ' CB ' ' A' ' 104' ' ' ALA . 31.1 m95 -71.44 163.18 28.19 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 100' ' ' SER . . . -104.36 146.07 29.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.36 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 99' ' ' ALA . 2.5 t -37.98 -37.09 0.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.0 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -110.42 71.65 0.21 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -151.65 23.06 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 0.792 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 42.54 41.1 4.04 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.511 1.132 . . . . 0.0 111.019 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.601 ' CB ' ' CB ' ' A' ' 98' ' ' TRP . . . -99.33 -171.23 2.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 0.746 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -146.66 120.58 9.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.368 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.486 ' NE2' ' HG3' ' A' ' 108' ' ' PRO . 21.7 t60 -56.81 94.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.617 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 111' ' ' ASP . 0.5 OUTLIER -128.61 68.98 79.11 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.979 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.574 ' HB3' HD21 ' A' ' 112' ' ' LEU . 18.3 Cg_endo -75.04 169.62 22.21 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.471 1.774 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.564 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -75.0 -13.29 23.71 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.999 -2.5 . . . . 0.0 111.058 -0.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.617 ' O ' HG23 ' A' ' 95' ' ' VAL . 37.7 p -58.27 -92.35 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 110.453 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' A' ' 112' ' ' LEU . 3.0 t0 -69.99 143.61 52.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.348 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.574 HD21 ' HB3' ' A' ' 108' ' ' PRO . 18.7 mt -139.04 164.84 28.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 72.1 t -132.09 126.54 56.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.13 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.765 ' NE1' ' HB3' ' A' ' 116' ' ' ALA . 6.7 t90 -87.77 100.11 12.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.16 . . . . 0.0 108.011 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -79.38 -37.64 36.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.36 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.765 ' HB3' ' NE1' ' A' ' 114' ' ' TRP . . . -52.06 -41.9 62.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.511 ' HB2' ' CE2' ' A' ' 114' ' ' TRP . 0.8 OUTLIER -112.89 170.81 7.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.323 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -113.4 -21.41 10.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.264 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 11.3 t -157.19 144.79 18.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.372 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.656 ' CE2' ' CG2' ' A' ' 52' ' ' VAL . 52.1 m95 -64.36 -46.71 82.23 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.414 ' HA3' ' ND2' ' A' ' 73' ' ' ASN . . . 135.5 135.1 3.42 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.488 1.118 . . . . 0.0 111.014 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.608 ' C ' HD21 ' A' ' 126' ' ' LEU . 22.0 p -110.34 -156.18 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 110.17 159.68 17.53 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.48 1.112 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 145' ' ' ARG . 91.0 p -58.99 -55.09 39.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 0.773 . . . . 0.0 109.946 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.904 ' HA ' HG23 ' A' ' 144' ' ' VAL . 16.5 p -94.1 127.46 39.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.977 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.608 HD21 ' C ' ' A' ' 122' ' ' CYS . 0.6 OUTLIER -136.38 158.27 44.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -160.29 123.34 3.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 15.9 m -121.04 162.32 20.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.354 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.452 ' HB3' ' HB2' ' A' ' 70' ' ' ARG . . . -158.58 156.31 29.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.507 HD23 HG23 ' A' ' 138' ' ' VAL . 13.2 tp -119.48 131.35 55.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.664 HD13 ' HA ' ' A' ' 137' ' ' GLU . 18.1 mm -115.3 147.04 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.153 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.76 ' OD1' HG22 ' A' ' 134' ' ' THR . 6.4 p30 -98.38 -170.97 2.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 132' ' ' ASN . 23.5 p -36.1 -58.74 0.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.029 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.76 HG22 ' OD1' ' A' ' 132' ' ' ASN . 1.9 t -81.67 161.07 23.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.39 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -68.43 63.61 0.42 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.127 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . 0.454 ' O ' HG23 ' A' ' 131' ' ' ILE . 15.8 tt0 -139.49 137.19 35.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.756 . . . . 0.0 110.288 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.664 ' HA ' HD13 ' A' ' 131' ' ' ILE . 8.1 tt0 -84.38 141.07 31.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.327 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.507 HG23 HD23 ' A' ' 130' ' ' LEU . 2.4 m -107.84 -38.9 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -142.27 161.45 37.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 4.1 ppp? -141.47 154.25 45.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.561 ' HG3' ' HB2' ' A' ' 34' ' ' ALA . 3.9 ttt85 -145.04 97.45 3.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -92.89 151.68 19.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 126' ' ' LEU . 0.3 OUTLIER -160.26 116.63 2.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.904 HG23 ' HA ' ' A' ' 125' ' ' SER . 9.9 p -128.48 151.45 35.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 32.9 ttt180 -100.14 152.8 19.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.276 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 28.0 t -122.88 110.07 14.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.975 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -147.54 163.7 28.76 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.464 1.102 . . . . 0.0 111.022 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 163.26 35.72 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.427 1.751 . . . . 0.0 111.041 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.07 128.05 56.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 110.052 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 10.8 p -102.42 -59.65 1.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 110.043 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.523 1.139 . . . . 0.0 111.001 179.965 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 t -113.85 161.92 16.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 0.764 . . . . 0.0 109.992 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.7 t -66.32 -60.65 2.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.98 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.46 146.79 8.95 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.144 . . . . 0.0 111.013 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.56 109.49 2.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 0.792 . . . . 0.0 110.039 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.82 151.5 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.023 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.85 74.77 1.21 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -114.41 107.22 15.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 0.732 . . . . 0.0 110.339 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.8 t -115.59 115.66 26.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.057 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -144.5 111.66 5.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.277 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -153.24 169.69 32.1 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 171.71 132.59 1.51 Allowed Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 139.23 70.51 0.04 OUTLIER Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.6 t -172.92 117.06 0.3 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 0.738 . . . . 0.0 110.025 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.8 p -110.33 138.81 36.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.0 m -105.12 108.9 20.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.384 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.64 116.54 8.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.03 -63.03 0.45 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 39.18 89.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.77 151.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 mt -121.01 -65.2 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -134.2 144.46 48.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.59 -61.08 1.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.952 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.1 t 43.09 86.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.987 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -150.5 82.31 1.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.0 140.43 39.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.017 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -114.47 168.03 10.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.64 -62.29 1.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.041 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.408 ' O ' ' O ' ' A' ' 30' ' ' PHE . 65.8 m -50.91 102.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.987 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 145' ' ' ARG . 7.4 m-30 58.91 149.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.963 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 144' ' ' VAL . 5.4 t -67.83 67.63 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.031 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.88 ' NE2' HD21 ' A' ' 143' ' ' LEU . 5.2 mt-30 -49.49 147.58 3.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.482 ' CG ' ' O ' ' A' ' 32' ' ' GLN . 60.9 m-70 -159.58 78.89 0.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.564 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.472 ' CB ' ' HA ' ' A' ' 141' ' ' ARG . . . -101.91 159.58 15.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -158.86 109.22 2.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.407 HG21 ' HB2' ' A' ' 41' ' ' ALA . 0.9 OUTLIER -88.59 147.68 24.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.387 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.2 OUTLIER -156.12 82.14 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.989 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 160.75 -145.14 10.66 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.419 ' CD ' ' CD ' ' A' ' 60' ' ' GLU . 10.9 mtm-85 -97.42 -40.79 8.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 0.763 . . . . 0.0 110.23 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.533 HG23 ' HG3' ' A' ' 62' ' ' GLN . 23.2 t -95.62 144.35 10.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 109.27 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.826 ' HB3' ' HD3' ' A' ' 57' ' ' LYS . . . -129.67 154.7 46.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.516 ' CG1' HG23 ' A' ' 45' ' ' VAL . 60.8 t -80.64 86.7 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 109.278 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.87 -67.89 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -158.6 132.52 7.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.261 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.831 HG22 HG13 ' A' ' 52' ' ' VAL . 8.2 t -120.27 107.36 20.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.93 107.48 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.666 ' HB3' HD22 ' A' ' 143' ' ' LEU . 7.1 pt-20 -56.49 -36.31 68.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -57.67 -17.95 17.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.318 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.94 64.66 1.91 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.488 1.117 . . . . 0.0 111.026 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -121.98 -47.49 2.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 0.762 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.619 ' CD2' ' CZ3' ' A' ' 98' ' ' TRP . 28.3 p90 -154.07 156.73 37.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.831 HG13 HG22 ' A' ' 45' ' ' VAL . 23.4 t -117.84 118.58 58.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.257 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.463 ' HG3' HG23 ' A' ' 96' ' ' THR . 0.2 OUTLIER -104.16 126.06 50.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.273 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.565 HD21 ' CG1' ' A' ' 52' ' ' VAL . 6.0 mt -125.5 139.55 53.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.6 ttp85 -126.48 153.93 44.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 110.273 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -99.64 99.81 10.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.348 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.826 ' HD3' ' HB3' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -68.34 -35.74 78.21 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.516 1.135 . . . . 0.0 109.36 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.405 ' CB ' ' HB3' ' A' ' 39' ' ' ARG . 15.7 t -57.55 172.27 0.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 110.007 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.477 ' C ' ' CB ' ' A' ' 91' ' ' ALA . 1.8 p30 -108.2 -0.8 20.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.52 ' C ' ' HB2' ' A' ' 91' ' ' ALA . 1.5 pt-20 -108.72 154.06 22.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.274 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 -64.93 136.68 57.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.61 ' OE1' ' CZ2' ' A' ' 67' ' ' TRP . 0.0 OUTLIER -112.34 102.87 10.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.524 ' N ' ' NE2' ' A' ' 62' ' ' GLN . 55.5 m -72.79 120.4 18.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.996 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -113.64 47.24 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.503 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -88.28 56.71 4.25 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.456 1.098 . . . . 0.0 111.035 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER 155.67 -24.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 0.769 . . . . 0.0 109.292 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.61 ' CZ2' ' OE1' ' A' ' 62' ' ' GLN . 11.4 m0 -42.25 161.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 107.997 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.439 ' CG ' ' C ' ' A' ' 67' ' ' TRP . 5.0 mt-30 -153.98 133.99 13.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.325 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.878 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 13.0 mt -91.83 124.26 44.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.5 mtt-85 -97.44 117.88 32.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.508 ' O ' HD12 ' A' ' 78' ' ' LEU . 9.2 tpt180 -115.03 111.53 21.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.267 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.464 ' CG ' HD13 ' A' ' 78' ' ' LEU . 5.5 tm0? -117.68 126.96 53.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.423 ' OD1' ' NE ' ' A' ' 71' ' ' ARG . 0.4 OUTLIER -127.25 148.02 50.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -62.49 154.09 42.53 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.2 t70 42.66 57.48 3.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 0.764 . . . . 0.0 109.242 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -177.57 165.33 1.32 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 175.51 11.14 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.452 1.764 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.508 HD12 ' O ' ' A' ' 71' ' ' ARG . 22.8 tp -106.04 135.18 47.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 51.2 mtm -113.81 152.17 31.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 69' ' ' ILE . 18.3 m -140.23 88.52 2.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.393 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.838 ' CD2' HD12 ' A' ' 69' ' ' ILE . 41.0 t80 -71.79 95.74 1.55 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -75.02 127.69 33.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.878 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 10.6 m-85 -74.29 169.05 21.07 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.414 ' O ' ' HA2' ' A' ' 65' ' ' GLY . 18.3 Cg_endo -75.03 147.89 34.43 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.496 1.788 . . . . 0.0 111.0 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.474 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.4 Cg_endo -75.0 5.15 4.15 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.457 1.767 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.407 ' N ' ' HD3' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -128.8 50.38 2.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.412 ' CZ ' HG21 ' A' ' 95' ' ' VAL . 5.7 t80 -128.23 141.76 51.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 110.948 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.3 m -144.1 105.72 4.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.385 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 34.8 tp -84.08 91.94 7.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -46.5 166.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.52 ' HB2' ' C ' ' A' ' 60' ' ' GLU . . . -76.15 138.18 40.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 75.35 -0.46 59.8 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 91' ' ' ALA . 0.4 OUTLIER -87.27 169.31 12.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 0.754 . . . . 0.0 110.289 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 54' ' ' LEU . 10.9 p -139.51 154.25 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.092 . . . . 0.0 109.322 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 110' ' ' THR . 5.9 p -141.16 136.62 33.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.463 HG23 ' HG3' ' A' ' 53' ' ' ARG . 9.3 m -113.93 132.86 55.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.405 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 4.8 mp -118.8 83.95 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.619 ' CZ3' ' CD2' ' A' ' 51' ' ' PHE . 23.7 m95 -69.33 167.42 16.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 108.056 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 101' ' ' GLY . . . -111.96 136.6 51.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.155 . . . . 0.0 109.301 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 99' ' ' ALA . 47.1 t -38.67 -30.23 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 0.0 110.031 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 99' ' ' ALA . . . -66.94 -51.63 38.54 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.467 1.104 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 99' ' ' ALA . . . -47.06 -48.99 22.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.749 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 89.27 24.47 31.4 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.434 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -59.55 -163.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 0.784 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.69 115.81 22.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.417 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -58.64 111.24 1.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.631 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.481 ' CB ' ' HB2' ' A' ' 111' ' ' ASP . 0.6 OUTLIER -143.02 68.23 17.81 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.002 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.539 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.2 Cg_endo -75.05 169.74 21.93 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.545 1.813 . . . . 0.0 110.965 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.539 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -74.99 -10.94 24.24 Favored 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 121.045 -2.481 . . . . 0.0 111.005 -0.012 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.497 ' O ' HG23 ' A' ' 95' ' ' VAL . 35.0 p -59.57 -79.26 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.432 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.481 ' HB2' ' CB ' ' A' ' 107' ' ' SER . 4.4 m-20 -76.91 143.96 39.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.496 ' CD2' ' HB3' ' A' ' 108' ' ' PRO . 8.8 mt -143.15 144.93 32.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 42.6 t -118.1 127.18 75.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.53 ' CD2' ' HB2' ' A' ' 117' ' ' GLN . 5.4 t90 -84.78 102.14 12.79 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.86 -44.22 17.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -49.58 -35.49 20.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.53 ' HB2' ' CD2' ' A' ' 114' ' ' TRP . 0.4 OUTLIER -115.4 174.31 6.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 110.297 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -136.82 15.22 3.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 1.7 t -176.5 148.46 0.73 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.378 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.44 ' O ' ' CZ ' ' A' ' 71' ' ' ARG . 43.1 m95 -92.5 15.45 14.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 108.038 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 73.38 112.19 0.07 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.507 1.129 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 11.4 p -97.4 -169.91 1.93 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 122.09 154.18 9.08 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.52 1.138 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 67.6 p -54.56 -42.52 71.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 0.752 . . . . 0.0 109.993 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 44.7 m -96.39 122.15 38.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.033 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.434 HD22 HH21 ' A' ' 71' ' ' ARG . 0.6 OUTLIER -137.52 150.23 47.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -153.72 104.91 2.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 110.334 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.429 HG21 HG21 ' A' ' 45' ' ' VAL . 22.0 m -101.72 152.51 20.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.364 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -152.72 156.57 39.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.553 HD21 ' HZ3' ' A' ' 67' ' ' TRP . 13.9 tp -120.2 132.4 55.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.641 HD13 ' HA ' ' A' ' 137' ' ' GLU . 24.6 mm -116.22 147.08 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.56 ' HA ' ' CG ' ' A' ' 67' ' ' TRP . 10.6 p30 -99.99 -166.65 1.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.517 ' OG ' ' N ' ' A' ' 134' ' ' THR . 1.3 p -35.34 -66.04 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.99 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.517 ' N ' ' OG ' ' A' ' 133' ' ' SER . 14.6 t -79.1 162.71 25.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.376 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -67.76 62.1 0.32 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 134' ' ' THR . 12.5 tt0 -135.5 136.28 41.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 0.75 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.641 ' HA ' HD13 ' A' ' 131' ' ' ILE . 4.8 tt0 -83.28 138.62 33.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.261 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.493 HG13 HD22 ' A' ' 132' ' ' ASN . 3.4 m -110.9 -30.62 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -144.73 157.44 44.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 15.1 ptm -142.78 151.77 41.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.472 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 17.4 ttm-85 -144.65 82.31 1.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.328 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.836 ' HD3' HG23 ' A' ' 144' ' ' VAL . 0.1 OUTLIER -78.37 154.58 30.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.88 HD21 ' NE2' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -161.6 118.0 2.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.836 HG23 ' HD3' ' A' ' 142' ' ' LYS . 22.1 t -128.86 128.64 67.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . 0.566 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 58.8 ttt180 -82.71 141.2 32.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 3.3 m -94.85 107.1 19.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.985 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -131.73 154.02 20.74 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 136.05 19.83 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.501 1.79 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 8.9 t -84.71 111.94 20.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.985 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 70.7 m -123.35 90.02 3.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.973 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.547 1.155 . . . . 0.0 111.009 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.4 t -178.84 162.98 1.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 0.757 . . . . 0.0 110.022 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -161.14 172.96 15.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.012 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.03 -162.98 9.69 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.504 1.128 . . . . 0.0 111.018 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -175.77 173.86 2.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.993 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.35 173.56 6.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.977 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.0 -179.49 40.09 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.478 1.111 . . . . 0.0 111.038 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -170.5 171.95 6.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 0.748 . . . . 0.0 110.282 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.8 t -156.07 113.62 3.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.026 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -90.2 -173.34 3.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -140.08 -166.74 10.77 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 110.952 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -165.13 -177.83 37.9 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -158.0 -154.88 7.31 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.23 165.41 19.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 0.748 . . . . 0.0 109.964 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.1 p -172.07 131.89 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.0 t -122.95 146.84 47.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.362 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -156.07 168.81 26.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.6 143.72 5.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -128.37 170.47 13.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 110.297 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.495 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.0 OUTLIER -138.77 86.03 2.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.495 HD12 ' O ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER 176.7 115.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 176.29 170.93 0.43 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.79 111.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.6 p -179.03 98.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.029 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -174.49 173.69 2.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.294 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.3 t -49.55 154.73 0.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.986 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.85 97.48 2.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.285 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 70.36 171.83 0.31 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 110.014 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 30' ' ' PHE . 2.4 m 174.35 91.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.004 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.486 ' CE1' ' CG ' ' A' ' 145' ' ' ARG . 8.4 m-30 56.97 156.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.578 ' HB2' ' CG1' ' A' ' 144' ' ' VAL . 56.2 m -89.86 71.12 7.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.043 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.552 ' HG2' HD21 ' A' ' 143' ' ' LEU . 35.3 mt-30 -48.66 152.57 0.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.295 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.534 ' CG ' ' O ' ' A' ' 32' ' ' GLN . 67.4 m-70 -164.03 75.37 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.539 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -106.94 164.0 12.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.95 106.88 0.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.59 147.74 29.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 0.0 110.432 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 138' ' ' VAL . 2.3 m -156.28 81.98 0.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.989 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.68 -142.89 8.6 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.446 1.091 . . . . 0.0 111.034 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.448 ' NH1' ' CD ' ' A' ' 60' ' ' GLU . 8.8 mtm180 -95.32 -43.34 8.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 0.78 . . . . 0.0 110.316 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.574 HG23 ' HG2' ' A' ' 62' ' ' GLN . 87.6 t -91.35 166.6 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.528 ' N ' HG12 ' A' ' 40' ' ' VAL . . . -151.48 141.95 22.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.447 ' CG1' HG23 ' A' ' 45' ' ' VAL . 30.0 t -67.83 86.99 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.99 -67.18 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.417 ' HA ' ' NH2' ' A' ' 141' ' ' ARG . 2.0 tp10 -161.64 134.47 6.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.825 HG22 HG13 ' A' ' 52' ' ' VAL . 6.5 t -119.83 109.61 26.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.525 ' OD2' ' N ' ' A' ' 49' ' ' GLY . 0.1 OUTLIER -42.91 117.55 1.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.53 ' HB3' HD22 ' A' ' 143' ' ' LEU . 5.6 pt-20 -68.56 -19.97 64.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -75.92 -12.71 60.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.525 ' N ' ' OD2' ' A' ' 46' ' ' ASP . . . 73.48 94.0 0.11 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.506 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 10.8 mtmt -158.91 -54.79 0.06 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 0.765 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.587 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 19.3 p90 -138.49 159.18 42.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.825 HG13 HG22 ' A' ' 45' ' ' VAL . 38.1 t -124.72 113.79 37.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.417 ' HG3' HG23 ' A' ' 96' ' ' THR . 0.0 OUTLIER -95.61 124.95 39.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.342 179.925 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.522 HD11 HD13 ' A' ' 69' ' ' ILE . 6.9 mt -123.35 132.93 54.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.412 ' HG2' ' CE ' ' A' ' 57' ' ' LYS . 17.4 ttp180 -124.04 148.06 47.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.326 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 32.6 t-20 -95.09 130.98 41.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.412 ' CE ' ' HG2' ' A' ' 55' ' ' ARG . 7.1 mmpt? -97.14 -30.27 13.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.659 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 82.6 p -61.19 154.89 22.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.441 ' C ' ' CB ' ' A' ' 91' ' ' ALA . 2.7 t30 -88.23 -15.29 36.29 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.565 ' C ' ' HB2' ' A' ' 91' ' ' ALA . 5.6 pt-20 -96.27 149.24 21.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -63.79 124.24 20.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.289 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.574 ' HG2' HG23 ' A' ' 40' ' ' VAL . 42.8 tp60 -100.81 118.19 36.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.1 t -80.2 140.7 36.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.986 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.539 ' HA ' ' CD1' ' A' ' 67' ' ' TRP . 56.1 mtp -126.87 29.5 5.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.508 ' CA ' ' HA ' ' A' ' 85' ' ' PRO . . . -74.95 55.16 2.64 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.491 1.119 . . . . 0.0 110.953 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER 155.67 -24.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 0.783 . . . . 0.0 109.262 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.539 ' CD1' ' HA ' ' A' ' 64' ' ' MET . 11.1 m0 -44.12 163.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 108.021 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.42 ' O ' HD12 ' A' ' 130' ' ' LEU . 11.3 mt-30 -144.22 168.51 19.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 1.126 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 6.8 mt -131.56 122.03 49.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.708 ' HB2' ' HB3' ' A' ' 129' ' ' ALA . 6.4 mtp85 -95.73 143.93 26.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.264 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -148.6 100.39 3.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.99 ' HB2' HD13 ' A' ' 78' ' ' LEU . 21.7 tm0? -117.81 126.61 52.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 121' ' ' GLY . 86.1 m-20 -120.56 146.63 46.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' A' ' 76' ' ' ASP . . . -43.71 142.22 2.45 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 66.21 -72.17 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 0.795 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 74' ' ' GLY . 0.2 OUTLIER -41.53 160.99 0.14 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -176.84 3.08 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.562 1.822 . . . . 0.0 110.978 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.99 HD13 ' HB2' ' A' ' 72' ' ' GLN . 8.8 tp -112.14 131.76 55.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.422 ' N ' HD12 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -118.87 159.37 23.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.493 ' OG1' ' CZ ' ' A' ' 70' ' ' ARG . 28.9 m -145.77 105.87 4.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.39 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.502 ' HB2' ' CH2' ' A' ' 114' ' ' TRP . 61.9 t80 -87.59 111.04 20.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.113 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.6 ttp85 -88.01 120.2 29.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 110.331 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 1.126 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 16.4 m-85 -63.89 166.5 9.81 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.431 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.2 Cg_endo -75.04 147.72 34.13 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.496 1.787 . . . . 0.0 110.942 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.508 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.2 Cg_endo -75.03 15.19 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.465 1.771 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.431 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.3 OUTLIER -134.07 41.74 2.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -129.18 135.29 48.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.8 m -135.98 113.26 10.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.425 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 30.1 tp -87.26 97.27 10.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -51.15 167.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.659 ' HB1' ' O ' ' A' ' 58' ' ' SER . . . -78.22 136.07 37.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 75.87 2.65 71.59 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' A' ' 91' ' ' ALA . 0.9 OUTLIER -88.8 170.94 10.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 0.736 . . . . 0.0 110.285 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 13.3 p -139.5 158.45 27.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 110' ' ' THR . 7.3 p -146.86 145.79 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.251 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 112' ' ' LEU . 21.8 m -122.37 126.77 48.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.406 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.595 ' N ' HD12 ' A' ' 97' ' ' ILE . 4.2 mp -112.57 89.76 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.148 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.651 ' CG ' ' CB ' ' A' ' 104' ' ' ALA . 42.3 m95 -75.01 162.5 28.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 1.165 . . . . 0.0 107.981 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 50' ' ' LYS . . . -103.12 145.63 29.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.0 t -39.95 -53.37 2.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.029 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -50.44 -52.88 26.75 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.456 1.098 . . . . 0.0 111.01 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.41 150.24 1.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 0.781 . . . . 0.0 109.259 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -88.71 40.79 3.06 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.536 1.148 . . . . 0.0 111.039 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.651 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -79.6 -170.48 2.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.753 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -144.68 121.99 11.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.371 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.476 ' NE2' ' HG3' ' A' ' 108' ' ' PRO . 19.5 t60 -55.62 93.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.606 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.94 69.13 76.62 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.03 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.607 ' HB3' HD21 ' A' ' 112' ' ' LEU . 18.4 Cg_endo -74.97 169.32 22.88 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.509 1.794 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.557 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.1 Cg_endo -75.04 -14.66 23.04 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.999 0.02 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.564 ' O ' HG23 ' A' ' 95' ' ' VAL . 42.0 p -57.05 -91.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.361 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -70.38 146.51 50.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.607 HD21 ' HB3' ' A' ' 108' ' ' PRO . 18.1 mt -143.15 165.67 26.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.344 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 53.3 t -133.91 127.58 52.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.729 ' HE1' ' HB3' ' A' ' 116' ' ' ALA . 7.7 t90 -91.18 100.45 13.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 108.01 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.1 -46.43 18.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.729 ' HB3' ' HE1' ' A' ' 114' ' ' TRP . . . -41.14 -44.81 2.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.564 ' HG3' ' CH2' ' A' ' 114' ' ' TRP . 9.7 mm100 -102.94 173.26 6.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -113.98 -25.2 8.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 14.8 t -160.23 151.23 19.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 110.449 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.494 ' CE2' ' CG2' ' A' ' 52' ' ' VAL . 49.2 m95 -68.65 -44.22 74.6 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.426 ' O ' ' ND2' ' A' ' 73' ' ' ASN . . . 131.88 102.67 0.88 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.531 1.145 . . . . 0.0 111.026 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 17.1 p -84.36 -168.68 2.27 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 118.46 166.57 13.7 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 29.1 p -62.52 -64.4 0.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.944 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.939 ' HA ' HG23 ' A' ' 144' ' ' VAL . 33.2 t -84.14 127.84 34.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.035 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -140.42 145.4 36.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 2.5 ttt-85 -142.27 113.32 7.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 23.6 m -111.8 163.65 13.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.398 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.708 ' HB3' ' HB2' ' A' ' 70' ' ' ARG . . . -160.69 163.81 32.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.24 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' A' ' 137' ' ' GLU . 13.5 tp -128.17 131.93 48.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.683 HD13 ' HA ' ' A' ' 137' ' ' GLU . 24.3 mm -113.26 148.32 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.143 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.451 HD22 HG13 ' A' ' 138' ' ' VAL . 9.0 p30 -99.19 -172.47 2.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.352 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 132' ' ' ASN . 0.5 OUTLIER -37.53 -52.07 1.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.029 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 136' ' ' GLU . 71.1 p -86.2 158.22 19.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.399 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -67.29 63.06 0.24 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.543 1.152 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 134' ' ' THR . 18.6 tt0 -143.14 135.67 27.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 0.755 . . . . 0.0 110.327 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.683 ' HA ' HD13 ' A' ' 131' ' ' ILE . 2.2 tt0 -79.56 142.6 35.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.283 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 37' ' ' SER . 2.2 m -110.78 -34.2 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -143.97 154.59 43.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 24.1 ptm -134.05 148.21 51.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.417 ' NH2' ' HA ' ' A' ' 44' ' ' GLU . 1.8 tpt180 -141.16 98.54 3.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -102.43 136.96 41.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.14 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.552 HD21 ' HG2' ' A' ' 32' ' ' GLN . 0.2 OUTLIER -143.71 118.41 9.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.939 HG23 ' HA ' ' A' ' 125' ' ' SER . 8.9 p -124.68 149.73 29.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . 0.486 ' CG ' ' CE1' ' A' ' 30' ' ' PHE . 35.9 ttt180 -96.71 155.24 16.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 13.7 m -117.83 83.87 2.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.009 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -115.28 178.82 17.97 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.531 1.145 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 147.63 34.03 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.507 1.793 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 35.7 p -167.49 85.66 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.987 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 90.9 p -116.09 163.72 15.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.0 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.536 1.147 . . . . 0.0 110.993 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.5 p -165.66 169.76 14.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 0.784 . . . . 0.0 109.972 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.29 108.52 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.958 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.81 151.6 23.81 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.1 p -172.11 176.7 3.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 110.018 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -146.74 173.14 12.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.98 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.92 119.88 2.25 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.12 -172.95 2.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.8 p -132.79 149.59 52.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.961 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -142.87 176.34 9.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -143.95 -136.47 3.1 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.477 1.11 . . . . 0.0 111.001 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 157.56 148.82 5.25 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -121.29 144.0 16.38 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.8 m -137.95 172.21 13.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 0.763 . . . . 0.0 110.014 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 68.9 t 60.58 107.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -172.23 114.01 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.399 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.35 105.54 8.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.74 162.82 36.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.85 -63.64 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.08 140.53 7.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.3 mm? 49.68 92.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -160.53 121.02 2.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.81 84.12 1.88 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 110.017 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 61.1 p -175.79 134.21 0.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.443 1.089 . . . . 0.0 109.99 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -157.93 82.91 0.87 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.0 m -139.1 131.2 28.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 110.018 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.87 145.88 15.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.3 m -165.49 172.14 12.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.977 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.424 ' O ' ' O ' ' A' ' 30' ' ' PHE . 12.2 m -90.89 149.39 21.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.584 ' CZ ' ' HB2' ' A' ' 145' ' ' ARG . 5.5 m-30 57.38 153.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.489 1.118 . . . . 0.0 111.045 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.502 ' HB2' HG13 ' A' ' 144' ' ' VAL . 0.2 OUTLIER -81.08 68.83 7.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.969 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.466 ' CG ' ' HG ' ' A' ' 143' ' ' LEU . 0.0 OUTLIER -56.64 144.35 32.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 110.268 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -155.89 75.82 0.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.567 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.495 ' HB2' ' HG3' ' A' ' 141' ' ' ARG . . . -100.89 161.99 13.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -165.0 112.85 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.298 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.415 HG21 ' HB2' ' A' ' 41' ' ' ALA . 0.9 OUTLIER -88.8 147.7 24.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 110.386 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.9 OUTLIER -156.12 82.23 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.013 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.04 -140.74 7.07 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.446 1.091 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.448 ' CG ' ' HB3' ' A' ' 58' ' ' SER . 9.3 mtm180 -97.03 -41.76 8.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 0.761 . . . . 0.0 110.255 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.517 HG12 ' N ' ' A' ' 41' ' ' ALA . 61.1 t -90.19 166.58 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.517 ' N ' HG12 ' A' ' 40' ' ' VAL . . . -152.09 136.4 16.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.464 ' CG1' HG23 ' A' ' 45' ' ' VAL . 16.5 t -66.09 86.24 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 42' ' ' VAL . 0.7 OUTLIER -37.8 -66.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.317 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -161.91 134.85 6.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.294 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.985 HG22 HG13 ' A' ' 52' ' ' VAL . 5.8 t -120.05 116.41 50.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.42 ' OD2' ' N ' ' A' ' 50' ' ' LYS . 21.5 t70 -54.24 116.13 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.552 ' CD ' ' CE2' ' A' ' 30' ' ' PHE . 2.8 pt-20 -54.97 -36.84 65.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -64.47 -20.35 66.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.325 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.413 ' N ' ' OD2' ' A' ' 46' ' ' ASP . . . 84.24 43.13 7.17 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.555 1.16 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.42 ' N ' ' OD2' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -87.16 -48.63 7.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 0.0 109.322 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.559 ' CD2' ' CZ3' ' A' ' 98' ' ' TRP . 24.0 p90 -156.01 166.73 32.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.985 HG13 HG22 ' A' ' 45' ' ' VAL . 45.5 t -121.83 113.07 37.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.28 114.43 26.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.789 HD11 ' CD1' ' A' ' 69' ' ' ILE . 5.6 mt -115.63 127.68 55.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.446 ' CZ ' ' HE2' ' A' ' 57' ' ' LYS . 0.6 OUTLIER -118.6 149.55 41.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.321 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -98.66 137.17 37.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.446 ' HE2' ' CZ ' ' A' ' 55' ' ' ARG . 1.2 mmtp -106.8 -23.75 12.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.473 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 77.3 p -62.64 151.42 38.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.975 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.439 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 1.5 p30 -81.67 -20.42 39.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -101.26 136.48 41.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 110.307 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -51.78 130.53 29.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.437 ' HG2' HG23 ' A' ' 40' ' ' VAL . 52.0 tp60 -98.67 114.73 27.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.267 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 74.7 m -74.69 126.23 30.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 110.042 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.406 ' SD ' ' HB2' ' A' ' 89' ' ' LEU . 22.7 mtp -115.06 43.14 2.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 111.033 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 66' ' ' ASN . . . -84.33 54.97 4.98 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.447 1.092 . . . . 0.0 110.965 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.496 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER 156.17 -26.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 0.799 . . . . 0.0 109.298 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.411 ' O ' ' HB2' ' A' ' 83' ' ' PHE . 11.5 m0 -44.07 156.35 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 108.0 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.463 ' N ' ' OE1' ' A' ' 68' ' ' GLN . 1.0 OUTLIER -144.49 171.25 14.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.789 ' CD1' HD11 ' A' ' 54' ' ' LEU . 10.4 mt -129.36 123.48 58.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.254 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.52 ' HB2' ' HB3' ' A' ' 129' ' ' ALA . 26.6 mtt-85 -92.19 135.7 33.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.454 ' O ' HD12 ' A' ' 78' ' ' LEU . 0.7 OUTLIER -138.04 116.36 11.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.662 ' HB2' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -139.69 86.79 2.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.302 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.485 ' HB3' HD23 ' A' ' 126' ' ' LEU . 55.5 m-20 -103.43 147.04 27.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 73' ' ' ASN . . . 37.25 -156.15 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.475 1.109 . . . . 0.0 111.023 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -90.64 64.27 5.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 0.747 . . . . 0.0 109.261 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.425 ' CB ' ' CD ' ' A' ' 77' ' ' PRO . 0.4 OUTLIER -118.61 173.75 3.16 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.425 ' CD ' ' CB ' ' A' ' 76' ' ' ASP . 18.5 Cg_endo -74.97 114.88 4.13 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.468 1.773 . . . . 0.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.662 HD13 ' HB2' ' A' ' 72' ' ' GLN . 9.8 tp -52.29 131.03 32.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.155 . . . . 0.0 109.332 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.599 ' N ' HD12 ' A' ' 78' ' ' LEU . 1.2 mpp? -116.63 148.06 41.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 111.027 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 82.7 m -134.43 93.5 3.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.389 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.488 ' CE2' HD12 ' A' ' 97' ' ' ILE . 87.4 t80 -74.79 95.06 2.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.41 ' CD ' ' HG2' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -81.61 117.71 22.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.278 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.638 ' HZ ' HD11 ' A' ' 97' ' ' ILE . 21.7 m-85 -64.1 167.91 7.13 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.419 ' O ' ' HA2' ' A' ' 65' ' ' GLY . 18.4 Cg_endo -74.97 149.59 37.08 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.492 1.785 . . . . 0.0 111.012 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.496 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.4 Cg_endo -75.02 4.14 5.01 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.546 1.814 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.06 48.33 2.12 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.563 ' CE1' HD11 ' A' ' 112' ' ' LEU . 12.2 t80 -128.1 142.1 51.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 111.026 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.8 m -141.05 116.58 10.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 110.414 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.406 ' HB2' ' SD ' ' A' ' 64' ' ' MET . 52.3 tp -91.65 91.78 8.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 89' ' ' LEU . 7.2 mtpt -44.49 167.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.473 ' HB1' ' O ' ' A' ' 58' ' ' SER . . . -78.25 128.98 34.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 81.46 9.68 85.49 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.475 1.11 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -93.04 177.1 6.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 110.286 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 11.9 p -148.83 157.07 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.4 p -143.77 136.07 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 112' ' ' LEU . 23.7 m -108.46 132.75 53.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.391 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.638 HD11 ' HZ ' ' A' ' 83' ' ' PHE . 0.3 OUTLIER -110.66 79.8 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.559 ' CZ3' ' CD2' ' A' ' 51' ' ' PHE . 59.8 m95 -69.65 157.13 37.83 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.539 ' HB1' ' HA ' ' A' ' 119' ' ' THR . . . -106.74 139.38 41.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.5 t -40.72 -52.2 2.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.011 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -49.85 -41.94 37.0 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.504 1.128 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 99' ' ' ALA . . . -47.69 -62.18 1.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 104.11 28.23 5.93 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -77.55 -165.13 0.56 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 0.782 . . . . 0.0 109.341 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.01 127.75 48.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.4 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.477 ' CE1' HD23 ' A' ' 112' ' ' LEU . 14.7 t60 -68.05 93.41 0.43 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.582 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.18 75.96 59.96 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.994 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.538 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.2 Cg_endo -74.94 168.95 23.69 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.501 1.79 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.538 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -74.97 -18.41 18.76 Favored 'Cis proline' 0 C--N 1.359 1.13 0 C-N-CA 121.016 -2.493 . . . . 0.0 111.019 -0.039 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 37.4 p -54.35 -87.11 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.434 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.439 ' OD1' ' NE1' ' A' ' 98' ' ' TRP . 32.7 m-20 -67.4 136.34 54.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.563 HD11 ' CE1' ' A' ' 87' ' ' PHE . 15.6 mt -142.95 105.11 4.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 53.7 t -79.19 137.75 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.52 ' CD2' ' HB2' ' A' ' 117' ' ' GLN . 5.8 t90 -96.08 99.73 11.45 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.2 mttp -84.26 -43.67 14.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.351 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -44.53 -45.01 9.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.52 ' HB2' ' CD2' ' A' ' 114' ' ' TRP . 0.9 OUTLIER -100.4 173.52 6.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.265 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.76 HD22 HG22 ' A' ' 119' ' ' THR . 0.3 OUTLIER -110.73 -20.09 12.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.103 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.76 HG22 HD22 ' A' ' 118' ' ' ASN . 10.2 t -167.06 165.0 15.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.4 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.405 ' CE2' HG23 ' A' ' 52' ' ' VAL . 34.4 m95 -87.5 -13.21 43.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 108.027 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 89.46 162.4 38.39 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.521 1.138 . . . . 0.0 111.034 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.49 ' HA ' ' CD2' ' A' ' 126' ' ' LEU . 1.5 p -164.39 -175.9 4.13 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 125' ' ' SER . . . 141.68 50.57 0.04 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.541 1.151 . . . . 0.0 110.99 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.456 ' CB ' ' HB3' ' A' ' 145' ' ' ARG . 1.5 t 65.7 -71.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 109.992 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.797 ' HA ' HG23 ' A' ' 144' ' ' VAL . 8.0 t -78.08 124.47 28.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.977 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.49 ' CD2' ' HA ' ' A' ' 122' ' ' CYS . 0.4 OUTLIER -134.94 154.13 51.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -157.43 91.61 1.17 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 110.302 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 19.0 m -96.42 147.97 23.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.391 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.52 ' HB3' ' HB2' ' A' ' 70' ' ' ARG . . . -143.06 159.83 41.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.506 HD23 HG23 ' A' ' 138' ' ' VAL . 12.2 tp -120.56 130.89 54.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.533 HG23 ' O ' ' A' ' 136' ' ' GLU . 26.0 mm -112.29 147.9 15.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.814 ' OD1' HG22 ' A' ' 134' ' ' THR . 8.0 p30 -101.84 -169.48 1.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 132' ' ' ASN . 2.6 p -36.92 -57.19 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.019 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.814 HG22 ' OD1' ' A' ' 132' ' ' ASN . 3.7 t -82.1 160.3 23.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 110.402 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -68.74 59.67 0.5 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.554 1.159 . . . . 0.0 111.039 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . 0.533 ' O ' HG23 ' A' ' 131' ' ' ILE . 12.7 tt0 -137.84 146.93 44.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 0.786 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.522 ' HA ' HD13 ' A' ' 131' ' ' ILE . 13.8 tt0 -88.7 140.28 29.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.348 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.506 HG23 HD23 ' A' ' 130' ' ' LEU . 4.4 m -111.79 -28.54 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -147.72 161.4 41.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 26.3 ptm -144.66 156.33 44.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.964 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.495 ' HG3' ' HB2' ' A' ' 34' ' ' ALA . 4.1 ttt85 -148.91 88.82 1.63 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.426 ' HG2' ' N ' ' A' ' 143' ' ' LEU . 10.1 tttt -85.61 150.69 24.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.466 ' HG ' ' CG ' ' A' ' 32' ' ' GLN . 0.2 OUTLIER -160.87 114.0 1.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.245 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.797 HG23 ' HA ' ' A' ' 125' ' ' SER . 11.9 p -123.18 153.36 28.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . 0.584 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 16.0 ttt85 -102.0 152.97 20.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.318 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.41 ' N ' ' CG ' ' A' ' 145' ' ' ARG . 10.8 t -87.23 85.29 7.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.992 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -93.29 -163.08 36.76 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.483 1.114 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 126.22 9.8 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.496 1.787 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.3 t -93.49 -55.93 3.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.977 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.76 131.65 50.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.022 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.118 . . . . 0.0 110.952 179.984 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 p -168.9 167.52 10.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 0.792 . . . . 0.0 110.035 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.04 -58.26 1.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.033 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.4 153.87 29.96 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.45 1.094 . . . . 0.0 111.036 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -176.7 152.37 0.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 0.757 . . . . 0.0 109.999 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.8 p -166.45 165.97 16.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.994 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.61 -147.45 6.97 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -163.13 129.54 3.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 0.776 . . . . 0.0 110.303 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.51 152.23 0.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.012 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -177.89 138.1 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.268 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -141.8 163.88 26.85 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.515 1.134 . . . . 0.0 110.958 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.76 175.95 28.23 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.13 128.73 3.13 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 38.1 p -172.56 155.25 3.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 0.775 . . . . 0.0 110.042 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.1 p -155.91 127.71 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.334 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.1 m -107.56 128.65 54.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.443 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -122.81 115.35 21.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -161.26 158.86 27.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -128.67 92.37 3.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.09 . . . . 0.0 110.283 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.79 161.56 42.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.81 67.78 6.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.42 ' OE2' ' CZ ' ' A' ' 35' ' ' ARG . 5.7 tt0 -99.05 142.88 29.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.538 1.149 . . . . 0.0 110.303 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.2 t -172.87 106.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.986 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 93.4 p -165.97 150.35 8.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 110.038 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -166.48 93.4 0.49 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 110.325 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.43 156.33 22.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.7 88.0 1.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.39 -51.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.958 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.9 m -140.9 84.11 1.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.036 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.596 ' CE2' ' OE2' ' A' ' 47' ' ' GLU . 6.6 m-30 58.94 151.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.613 ' O ' ' CE1' ' A' ' 33' ' ' HIS . 4.4 t -69.41 60.77 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.999 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -40.41 146.0 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.303 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.755 ' NE2' HG23 ' A' ' 144' ' ' VAL . 0.0 OUTLIER -157.11 86.28 0.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.591 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.488 ' CB ' ' HA ' ' A' ' 141' ' ' ARG . . . -108.02 158.87 17.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.42 ' CZ ' ' OE2' ' A' ' 22' ' ' GLU . 1.3 mpp_? -154.07 117.11 4.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -91.34 148.48 22.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.397 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 138' ' ' VAL . 3.2 m -156.16 82.46 0.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.013 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 160.0 -139.24 6.01 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.125 . . . . 0.0 110.99 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.495 ' HD3' ' CG ' ' A' ' 60' ' ' GLU . 5.3 mtm-85 -100.83 -41.26 6.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 0.753 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.539 HG23 ' HG2' ' A' ' 62' ' ' GLN . 68.2 t -95.58 158.18 3.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.143 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -141.07 153.16 45.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.791 ' HA ' HD23 ' A' ' 54' ' ' LEU . 98.3 t -77.28 88.88 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.99 -67.4 0.25 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -159.07 125.45 4.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.849 HG22 HG13 ' A' ' 52' ' ' VAL . 13.9 t -115.45 102.66 14.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -46.48 112.85 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.117 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.829 ' HB3' HD22 ' A' ' 143' ' ' LEU . 5.7 pt-20 -57.74 -38.68 75.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.39 -26.09 28.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.7 63.08 1.49 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.2 mtmm -117.62 -45.31 2.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 0.74 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.463 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 50.6 p90 -158.05 157.78 33.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.954 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.849 HG13 HG22 ' A' ' 45' ' ' VAL . 20.1 t -120.12 114.37 43.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.6 124.99 43.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.791 HD23 ' HA ' ' A' ' 42' ' ' VAL . 26.0 mt -117.96 129.76 55.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.2 ttm180 -119.26 154.68 33.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 37.2 t-20 -102.49 122.73 44.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.4 mmpt? -95.56 -28.27 14.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.571 1.17 . . . . 0.0 109.338 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.28 169.73 2.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.438 1.086 . . . . 0.0 110.016 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -110.25 17.09 21.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.495 ' CG ' ' HD3' ' A' ' 39' ' ' ARG . 2.2 pt-20 -132.16 127.38 35.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 110.334 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -44.93 114.28 0.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.539 ' HG2' HG23 ' A' ' 40' ' ' VAL . 50.4 tp60 -91.78 116.85 29.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.323 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.61 142.97 44.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.047 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.416 ' SD ' ' CE3' ' A' ' 67' ' ' TRP . 0.4 OUTLIER -134.68 34.84 3.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.502 ' CA ' ' HA ' ' A' ' 85' ' ' PRO . . . -78.85 56.38 4.26 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER 156.19 -25.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 109.313 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.436 ' CG ' ' HA ' ' A' ' 132' ' ' ASN . 13.4 m0 -44.29 163.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 108.022 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -148.28 170.89 16.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.956 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 4.0 mt -130.95 122.32 51.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.439 1.087 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.6 mtt-85 -96.13 139.08 32.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.26 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -140.68 116.53 10.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.474 ' HB2' HD13 ' A' ' 78' ' ' LEU . 16.3 tm0? -140.4 102.87 4.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 0.0 110.274 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.791 ' HB3' HD23 ' A' ' 126' ' ' LEU . 23.7 m-20 -120.89 139.53 53.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 73' ' ' ASN . . . 37.52 -154.13 0.02 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.517 1.135 . . . . 0.0 110.987 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -80.48 76.85 7.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 0.793 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -137.52 160.87 63.55 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 111.39 3.31 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.479 1.779 . . . . 0.0 110.983 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.474 HD13 ' HB2' ' A' ' 72' ' ' GLN . 4.3 tp -55.22 121.71 9.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -106.1 143.71 33.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 43.8 m -123.42 91.19 3.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 110.393 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.574 ' HB2' ' CH2' ' A' ' 114' ' ' TRP . 62.0 t80 -73.29 95.08 2.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 111.032 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -78.8 117.76 20.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.335 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.956 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 22.0 m-85 -63.06 167.12 6.68 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.437 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.1 Cg_endo -75.04 146.95 33.11 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.499 1.789 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.502 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.3 Cg_endo -74.97 15.63 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.477 1.777 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.437 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.0 OUTLIER -135.21 40.88 2.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -124.93 150.02 47.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -154.91 114.41 3.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.376 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 36.8 tp -83.79 100.07 10.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.33 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.9 mtpt -51.3 171.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -77.75 126.0 30.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 79.35 10.32 86.09 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.439 1.087 . . . . 0.0 110.961 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.94 173.9 8.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 0.79 . . . . 0.0 110.243 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 9.7 p -146.52 157.17 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.1 p -145.42 147.65 18.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 28.6 m -122.65 126.08 46.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 110.414 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.558 ' N ' HD12 ' A' ' 97' ' ' ILE . 3.9 mp -113.47 83.84 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.495 ' CG ' ' CB ' ' A' ' 104' ' ' ALA . 46.1 m95 -64.68 161.22 18.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 107.98 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.822 ' HB2' ' CD1' ' A' ' 120' ' ' TRP . . . -103.14 139.32 38.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.429 ' HB3' ' O ' ' A' ' 117' ' ' GLN . 9.4 t -37.52 -47.95 0.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 109.955 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 118' ' ' ASN . . . -57.17 -48.17 81.97 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.528 1.142 . . . . 0.0 111.03 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 99' ' ' ALA . . . -40.63 -54.47 2.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 0.779 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 89.42 23.68 33.36 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.553 1.158 . . . . 0.0 111.017 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.495 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -60.07 -160.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 0.747 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -125.76 113.51 17.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 110.403 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.49 ' CE1' HD23 ' A' ' 112' ' ' LEU . 8.3 t60 -56.05 111.51 0.96 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.614 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.463 ' CB ' ' HB2' ' A' ' 111' ' ' ASP . 0.5 OUTLIER -144.52 66.29 13.58 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.981 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.546 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.1 Cg_endo -75.07 169.29 22.92 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.477 1.777 . . . . 0.0 111.015 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.546 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.4 Cg_endo -74.95 -13.41 23.52 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 120.995 -2.502 . . . . 0.0 111.058 -0.037 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 107' ' ' SER . 42.3 p -56.01 -74.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.385 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.463 ' HB2' ' CB ' ' A' ' 107' ' ' SER . 37.4 m-20 -83.41 150.3 26.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.49 HD23 ' CE1' ' A' ' 106' ' ' HIS . 28.2 mt -146.12 147.59 31.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 55.1 t -124.1 120.42 59.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.76 ' NE1' ' HB3' ' A' ' 116' ' ' ALA . 5.8 t90 -83.26 97.31 8.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 107.987 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 116' ' ' ALA . 7.9 mtmt -76.31 -45.23 33.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.76 ' HB3' ' NE1' ' A' ' 114' ' ' TRP . . . -36.81 -69.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.754 HE22 ' HB1' ' A' ' 99' ' ' ALA . 0.0 OUTLIER -76.2 175.28 9.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.273 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.512 HD22 HG22 ' A' ' 119' ' ' THR . 0.0 OUTLIER -115.35 -24.67 8.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.512 HG22 HD22 ' A' ' 118' ' ' ASN . 6.5 t -160.59 123.07 3.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.422 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.822 ' CD1' ' HB2' ' A' ' 99' ' ' ALA . 32.4 m95 -40.79 -46.94 2.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 108.006 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 138.18 138.61 3.73 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.414 ' C ' HD21 ' A' ' 126' ' ' LEU . 1.4 p -120.99 -176.35 3.25 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.42 ' N ' HD21 ' A' ' 126' ' ' LEU . . . 124.62 153.18 8.51 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.514 1.134 . . . . 0.0 111.023 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 33.1 p -57.86 -31.05 66.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 0.793 . . . . 0.0 110.015 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 36.9 p -111.28 119.19 38.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.02 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.791 HD23 ' HB3' ' A' ' 73' ' ' ASN . 0.2 OUTLIER -135.02 156.3 49.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -160.29 112.83 2.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 11.4 m -108.16 153.03 23.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.383 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -146.6 158.68 43.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.455 HD23 HG23 ' A' ' 138' ' ' VAL . 14.2 tp -123.02 131.84 53.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.525 HD13 ' HA ' ' A' ' 137' ' ' GLU . 23.1 mm -113.56 150.24 15.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.451 ' OD1' HG22 ' A' ' 134' ' ' THR . 13.1 p30 -102.74 -168.06 1.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.248 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.485 ' OG ' ' N ' ' A' ' 134' ' ' THR . 1.0 OUTLIER -36.24 -64.1 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 110.025 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.485 ' N ' ' OG ' ' A' ' 133' ' ' SER . 14.7 t -81.57 163.69 22.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.386 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -67.4 64.5 0.26 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 134' ' ' THR . 11.8 tt0 -140.07 133.13 29.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 110.279 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.525 ' HA ' HD13 ' A' ' 131' ' ' ILE . 3.9 tt0 -78.83 146.79 33.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 37' ' ' SER . 1.0 OUTLIER -116.43 -36.01 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -146.02 160.48 41.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 22.0 ptm -148.24 153.58 38.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.488 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 9.3 ttm180 -140.64 94.45 2.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.519 ' HB3' ' CD2' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -83.83 158.48 21.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.361 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.829 HD22 ' HB3' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -155.67 107.73 2.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.755 HG23 ' NE2' ' A' ' 33' ' ' HIS . 21.2 t -115.98 118.89 60.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . 0.579 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 22.4 ttt180 -78.31 140.64 38.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 110.324 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 1.3 m 42.51 -150.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.964 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -162.49 -146.06 4.55 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 82.33 2.01 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.491 1.785 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.56 -60.42 1.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 24.2 t -80.54 162.56 24.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.96 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.451 1.094 . . . . 0.0 111.029 -179.992 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -156.53 125.46 5.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 0.791 . . . . 0.0 109.979 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.5 p -153.03 168.06 27.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 110.0 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.81 -134.76 1.73 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.465 1.103 . . . . 0.0 110.958 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.29 158.18 1.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 0.734 . . . . 0.0 109.952 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.7 156.94 13.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.012 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.53 -167.92 11.12 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.539 1.149 . . . . 0.0 110.999 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.52 170.14 3.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 0.749 . . . . 0.0 110.296 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 t -165.68 167.66 16.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 110.062 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -134.1 164.59 27.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.241 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -116.53 -130.37 4.52 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.502 1.126 . . . . 0.0 110.957 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -153.36 164.84 31.17 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -103.27 -145.48 15.31 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 176.45 90.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 0.772 . . . . 0.0 110.039 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.3 m -105.38 138.92 28.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.68 ' O ' HG23 ' A' ' 16' ' ' THR . 15.2 t -150.59 60.82 0.94 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.368 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.7 tppt? -80.53 123.1 27.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.7 tttm -122.89 150.15 43.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -69.84 87.01 0.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -170.58 96.05 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.69 150.55 47.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -153.15 148.5 27.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.2 m -100.27 141.92 32.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.014 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.65 91.52 3.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.991 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -118.43 123.68 45.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 110.266 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.5 m 65.42 82.1 0.19 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.023 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.81 138.59 27.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.289 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 64.7 p 177.68 121.07 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.478 1.111 . . . . 0.0 109.997 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.434 ' O ' ' O ' ' A' ' 30' ' ' PHE . 19.7 m 63.61 139.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 110.011 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.604 ' CE2' ' OE2' ' A' ' 47' ' ' GLU . 3.8 m-30 57.78 149.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.969 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.491 ' HB2' ' CG1' ' A' ' 144' ' ' VAL . 0.5 OUTLIER -79.45 66.13 4.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.979 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.45 144.26 7.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 110.309 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -157.61 77.02 0.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.588 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -100.06 160.17 14.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.23 106.16 1.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.309 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.503 HG21 ' HB2' ' A' ' 41' ' ' ALA . 0.9 OUTLIER -87.36 148.88 24.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.384 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.2 OUTLIER -156.11 82.2 1.0 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.999 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 161.81 -145.92 11.45 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.452 1.095 . . . . 0.0 111.036 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.457 ' NE ' ' CD ' ' A' ' 60' ' ' GLU . 7.1 mtm-85 -94.46 -44.61 7.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 0.782 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 75.2 t -93.79 153.19 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.658 ' HB3' ' CD ' ' A' ' 57' ' ' LYS . . . -139.21 149.93 44.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.674 ' CG1' HG23 ' A' ' 45' ' ' VAL . 66.4 t -72.16 85.97 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 42' ' ' VAL . 7.4 tm-20 -37.46 -64.73 0.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -159.15 132.76 7.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.314 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.821 HG22 HG13 ' A' ' 52' ' ' VAL . 6.9 t -124.56 115.53 44.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -58.01 117.28 4.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.604 ' OE2' ' CE2' ' A' ' 30' ' ' PHE . 6.5 pt-20 -58.89 -39.11 80.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.103 . . . . 0.0 110.307 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.4 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -54.54 -27.63 39.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.31 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.23 59.6 1.74 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.512 1.132 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.686 ' HD2' ' HB1' ' A' ' 102' ' ' ALA . 0.5 OUTLIER -112.02 -43.63 3.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 0.764 . . . . 0.0 109.275 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.574 ' HB3' ' CE3' ' A' ' 98' ' ' TRP . 41.9 p90 -158.31 157.8 33.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.821 HG13 HG22 ' A' ' 45' ' ' VAL . 42.0 t -119.45 117.01 52.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.15 127.58 49.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.683 ' O ' HG13 ' A' ' 94' ' ' VAL . 4.3 mt -124.02 142.74 50.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.511 ' CG ' HG22 ' A' ' 94' ' ' VAL . 26.9 ttp85 -131.74 148.76 52.6 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -100.95 111.22 23.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.658 ' CD ' ' HB3' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -77.5 -33.84 54.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 m -58.2 158.47 7.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.041 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -98.66 15.82 23.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.653 ' C ' ' HB2' ' A' ' 91' ' ' ALA . 2.4 pt-20 -119.59 154.68 33.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.345 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -72.37 115.05 11.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.408 ' CD ' ' CZ2' ' A' ' 67' ' ' TRP . 42.0 tp60 -92.02 115.76 28.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 110.271 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 70.9 m -79.22 125.6 29.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.023 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.565 ' HA ' ' CD1' ' A' ' 67' ' ' TRP . 45.1 mtp -116.35 34.15 5.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.525 ' CA ' ' HA ' ' A' ' 85' ' ' PRO . . . -78.18 52.81 3.76 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.512 1.132 . . . . 0.0 111.026 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER 158.98 -26.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 0.741 . . . . 0.0 109.279 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.565 ' CD1' ' HA ' ' A' ' 64' ' ' MET . 11.0 m0 -42.05 157.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.496 ' O ' HD12 ' A' ' 130' ' ' LEU . 2.2 mp0 -143.16 167.15 22.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.353 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.933 HD11 ' CZ ' ' A' ' 83' ' ' PHE . 2.5 mt -129.41 121.47 53.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.597 HH21 HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -95.89 134.29 39.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.239 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.506 ' CZ ' ' O ' ' A' ' 120' ' ' TRP . 9.9 tpt180 -129.99 118.46 21.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.437 ' CB ' ' HG ' ' A' ' 78' ' ' LEU . 13.3 tm0? -125.6 126.36 44.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.448 ' ND2' ' C ' ' A' ' 121' ' ' GLY . 1.9 m120 -127.03 148.08 50.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -51.72 141.29 23.81 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 41.29 55.07 3.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.76 . . . . 0.0 109.345 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -160.67 156.13 21.54 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 150.41 37.98 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.597 HD13 HH21 ' A' ' 70' ' ' ARG . 1.6 tt -86.04 127.67 34.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.43 ' N ' HD23 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -104.96 147.73 27.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 38.0 m -131.19 99.08 4.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.392 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.509 ' CE2' HG21 ' A' ' 97' ' ' ILE . 88.1 t80 -85.61 93.41 8.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.984 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.59 117.22 20.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.933 ' CZ ' HD11 ' A' ' 69' ' ' ILE . 26.9 m-85 -63.15 165.93 9.51 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.964 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.49 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.3 Cg_endo -75.04 145.38 31.24 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.544 1.813 . . . . 0.0 110.979 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.525 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.3 Cg_endo -74.98 21.98 0.42 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.491 1.785 . . . . 0.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.49 ' H ' ' C ' ' A' ' 84' ' ' PRO . 1.3 mmmp? -138.81 37.13 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -128.86 140.46 51.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.82 112.55 7.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 110.404 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 90' ' ' LYS . 40.2 tp -80.4 95.78 6.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 89' ' ' LEU . 8.2 mtpt -47.62 173.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.653 ' HB2' ' C ' ' A' ' 60' ' ' GLU . . . -82.41 136.94 34.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.87 2.94 58.52 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 91' ' ' ALA . 0.5 OUTLIER -86.98 176.31 7.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 0.796 . . . . 0.0 110.288 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.683 HG13 ' O ' ' A' ' 54' ' ' LEU . 18.0 t -149.29 143.65 18.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 110' ' ' THR . 3.3 p -130.13 140.76 48.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 112' ' ' LEU . 56.1 m -116.13 133.91 55.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.396 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.509 HG21 ' CE2' ' A' ' 81' ' ' TYR . 4.3 mp -119.7 86.01 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.574 ' CE3' ' HB3' ' A' ' 51' ' ' PHE . 47.8 m95 -71.08 167.47 19.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 108.008 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 100' ' ' SER . . . -105.71 145.32 31.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 99' ' ' ALA . 4.1 t -38.06 -45.8 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.998 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -104.71 73.8 0.24 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.483 1.114 . . . . 0.0 110.981 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.686 ' HB1' ' HD2' ' A' ' 50' ' ' LYS . . . -152.22 23.35 0.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 41.49 42.74 3.59 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.512 1.132 . . . . 0.0 110.953 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.555 ' CB ' ' CB ' ' A' ' 98' ' ' TRP . . . -96.17 -176.45 3.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 0.765 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -142.05 112.34 7.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.407 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.573 ' CE1' HD23 ' A' ' 112' ' ' LEU . 7.7 t60 -52.57 109.69 0.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.572 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.47 ' CB ' ' HB2' ' A' ' 111' ' ' ASP . 0.3 OUTLIER -140.34 66.41 29.94 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.545 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.1 Cg_endo -75.02 169.13 23.29 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.538 1.81 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.545 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.3 Cg_endo -74.98 -11.0 24.22 Favored 'Cis proline' 0 C--N 1.36 1.176 0 C-N-CA 121.047 -2.48 . . . . 0.0 111.013 0.035 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.503 ' O ' HG23 ' A' ' 95' ' ' VAL . 33.3 p -59.96 -85.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 110.417 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.47 ' HB2' ' CB ' ' A' ' 107' ' ' SER . 26.5 m-20 -74.66 146.98 41.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.573 HD23 ' CE1' ' A' ' 106' ' ' HIS . 22.9 mt -140.38 161.29 38.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 46.9 t -128.67 128.72 68.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.58 ' NE1' ' HB3' ' A' ' 116' ' ' ALA . 4.8 t90 -87.33 107.86 18.71 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.32 -36.23 16.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.58 ' HB3' ' NE1' ' A' ' 114' ' ' TRP . . . -54.89 -48.56 72.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.487 ' HB2' ' CD2' ' A' ' 114' ' ' TRP . 0.7 OUTLIER -100.13 172.97 6.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -113.45 -19.83 11.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.603 HG23 ' H ' ' A' ' 121' ' ' GLY . 10.5 t -158.81 166.74 31.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.416 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.506 ' O ' ' CZ ' ' A' ' 71' ' ' ARG . 54.6 m95 -94.95 34.88 1.31 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 108.007 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.603 ' H ' HG23 ' A' ' 119' ' ' THR . . . 67.2 146.23 0.09 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 1.5 p -128.97 -175.11 3.45 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 119.08 157.98 10.55 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.525 1.141 . . . . 0.0 110.96 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 145' ' ' ARG . 4.2 p -56.08 -49.08 74.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 0.752 . . . . 0.0 109.967 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.944 ' HA ' HG23 ' A' ' 144' ' ' VAL . 4.3 m -94.18 125.14 38.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.031 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.506 HD13 ' O ' ' A' ' 47' ' ' GLU . 0.8 OUTLIER -134.31 155.48 50.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.19 123.35 5.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.301 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 51.8 m -119.64 153.23 35.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.379 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -153.08 158.78 42.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.496 HD12 ' O ' ' A' ' 68' ' ' GLN . 13.9 tp -122.41 129.7 52.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.491 HD13 ' O ' ' A' ' 130' ' ' LEU . 20.5 mm -113.61 122.51 67.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.273 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 133' ' ' SER . 9.9 p30 -74.74 -174.25 2.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.241 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 132' ' ' ASN . 1.0 OUTLIER -35.13 -61.18 0.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.959 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 136' ' ' GLU . 51.8 p -76.91 160.11 29.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.42 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -68.41 59.49 0.44 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.478 1.111 . . . . 0.0 111.053 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 134' ' ' THR . 12.5 tt0 -137.24 140.46 41.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 0.771 . . . . 0.0 110.277 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.431 ' HA ' ' O ' ' A' ' 130' ' ' LEU . 24.9 tt0 -83.88 145.04 28.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 37' ' ' SER . 1.6 m -114.16 -39.05 2.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -144.66 162.78 35.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 15.6 ptm -146.64 153.37 40.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 20.8 ttm-85 -141.81 93.08 2.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -88.69 149.02 23.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -158.2 114.86 2.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.944 HG23 ' HA ' ' A' ' 125' ' ' SER . 5.3 p -123.44 153.2 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 64.3 ttt180 -101.05 140.57 35.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.301 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 71.22 -73.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.992 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 142.71 156.62 6.85 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -64.28 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.484 1.781 . . . . 0.0 111.045 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 60.1 p -65.86 164.53 14.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.008 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.2 m -139.84 114.59 9.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.984 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.52 1.138 . . . . 0.0 111.012 179.972 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.9 t -178.47 148.48 0.46 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.4 0.706 . . . . 0.0 110.031 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.2 p -178.79 169.83 1.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.009 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.93 157.52 7.97 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.4 p -175.59 -58.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.515 0.774 . . . . 0.0 109.976 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.3 p 63.43 174.31 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 110.001 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.49 -123.56 7.6 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.485 1.116 . . . . 0.0 110.961 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 69.2 70.9 0.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 0.0 110.297 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.4 p -166.58 155.69 10.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.008 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -178.28 154.26 0.82 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -176.49 -175.73 44.07 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 143.75 178.2 19.31 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 113.85 161.19 14.06 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.1 t -176.26 -62.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.748 . . . . 0.0 110.039 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.465 HG12 ' O ' ' A' ' 15' ' ' VAL . 53.5 t 56.04 78.96 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.1 t -168.22 118.26 0.77 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.429 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -174.91 121.04 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.08 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.09 63.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 109.366 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.75 122.89 10.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.265 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -155.63 176.74 12.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -174.51 63.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -179.4 117.9 0.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.135 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.5 m -129.96 95.73 4.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 110.008 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 15.8 m 42.53 82.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.985 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -88.01 -63.27 1.33 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 110.276 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m 46.98 90.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.977 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 57.73 163.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.13 150.24 4.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.979 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 62.0 m -124.02 153.19 41.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.022 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.581 ' CE2' ' CD ' ' A' ' 47' ' ' GLU . 9.3 m-30 -48.16 157.72 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 144' ' ' VAL . 12.9 t -67.92 69.34 0.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.996 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.489 ' OE1' HD21 ' A' ' 143' ' ' LEU . 10.1 mt-30 -52.9 149.23 6.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.362 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 -159.8 78.49 0.69 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.138 . . . . 0.0 109.604 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.46 ' CB ' ' HA ' ' A' ' 141' ' ' ARG . . . -101.61 157.82 16.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -155.75 110.56 2.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.9 147.12 28.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 110.414 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 138' ' ' VAL . 0.2 OUTLIER -156.25 81.78 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.977 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 159.38 -131.81 2.84 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -107.66 -40.84 5.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 0.77 . . . . 0.0 110.33 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.518 HG12 ' N ' ' A' ' 41' ' ' ALA . 99.3 t -91.53 166.33 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.518 ' N ' HG12 ' A' ' 40' ' ' VAL . . . -152.31 137.65 17.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.521 ' CG1' HG23 ' A' ' 45' ' ' VAL . 41.9 t -66.28 89.31 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.77 -67.57 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.273 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -158.96 133.97 8.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.757 HG22 HG13 ' A' ' 52' ' ' VAL . 11.4 t -123.09 121.07 62.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.52 ' CG ' ' CE1' ' A' ' 51' ' ' PHE . 5.5 m-20 -57.93 116.46 3.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.648 ' HB3' HD22 ' A' ' 143' ' ' LEU . 6.9 pt-20 -48.98 -40.24 29.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.286 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -62.68 -37.36 86.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.472 ' CA ' ' HB2' ' A' ' 120' ' ' TRP . . . 101.37 38.19 3.34 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.99 -38.04 23.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 0.767 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.52 ' CE1' ' CG ' ' A' ' 46' ' ' ASP . 43.8 p90 -162.35 159.51 25.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.757 HG13 HG22 ' A' ' 45' ' ' VAL . 42.4 t -123.22 115.6 46.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -100.5 122.98 44.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.805 HD11 ' CD1' ' A' ' 69' ' ' ILE . 6.0 mt -116.73 135.61 53.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -123.5 151.19 43.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 110.288 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -103.26 129.26 50.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -102.67 -15.8 16.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.629 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 45.0 t -66.47 170.56 5.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.018 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.473 ' C ' ' CB ' ' A' ' 91' ' ' ALA . 2.9 p30 -101.41 -25.19 14.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -100.13 137.04 39.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -46.03 138.69 4.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 109.321 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 89' ' ' LEU . 49.6 tp60 -103.97 119.17 38.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.281 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 39.6 p -82.18 117.68 22.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.991 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.438 ' HE2' ' CD2' ' A' ' 83' ' ' PHE . 20.4 mtp -112.59 45.38 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.513 ' O ' ' ND2' ' A' ' 66' ' ' ASN . . . -86.93 55.43 4.62 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.533 1.145 . . . . 0.0 110.974 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.513 ' ND2' ' O ' ' A' ' 65' ' ' GLY . 0.4 OUTLIER 154.9 -23.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 0.762 . . . . 0.0 109.306 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.412 ' O ' ' O ' ' A' ' 66' ' ' ASN . 11.1 m0 -44.45 165.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.456 ' O ' HD12 ' A' ' 130' ' ' LEU . 3.7 mt-30 -152.07 169.07 23.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.805 ' CD1' HD11 ' A' ' 54' ' ' LEU . 8.4 mt -129.58 125.75 61.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.497 ' CZ ' HD21 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -99.69 135.98 40.3 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.469 ' HB3' ' CG ' ' A' ' 79' ' ' MET . 4.8 tpp180 -134.97 104.43 5.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.87 141.15 36.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.137 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -135.51 135.24 40.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -48.48 140.31 10.68 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.443 1.089 . . . . 0.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 40.58 57.18 2.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 0.771 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -163.3 166.15 13.38 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 161.5 38.8 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.538 1.809 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.497 HD21 ' CZ ' ' A' ' 70' ' ' ARG . 16.3 tp -107.32 130.49 54.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.625 ' SD ' ' CH2' ' A' ' 114' ' ' TRP . 17.1 ptp -112.83 151.21 30.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.993 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 57.4 m -132.83 97.35 4.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.407 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.585 ' HB2' ' CH2' ' A' ' 114' ' ' TRP . 77.9 t80 -75.99 96.35 3.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.5 ttt180 -80.06 128.62 33.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.271 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.573 ' CE2' HD11 ' A' ' 69' ' ' ILE . 14.6 m-85 -76.33 166.14 47.3 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 111.004 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.509 ' C ' ' H ' ' A' ' 86' ' ' LYS . 18.2 Cg_endo -75.0 146.49 32.69 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.55 1.816 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.486 ' HA ' ' CA ' ' A' ' 65' ' ' GLY . 18.4 Cg_endo -74.98 23.83 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.463 1.77 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.509 ' H ' ' C ' ' A' ' 84' ' ' PRO . 0.0 OUTLIER -142.05 30.03 1.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -113.24 151.06 31.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.2 m -155.0 113.16 3.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.459 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 62' ' ' GLN . 49.1 tp -86.44 95.81 9.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.0 mtpt -48.47 164.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.629 ' HB1' ' O ' ' A' ' 58' ' ' SER . . . -76.84 133.72 39.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 77.86 6.34 87.12 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -95.07 173.27 7.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 0.768 . . . . 0.0 110.284 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 8.1 p -141.93 158.66 20.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 110' ' ' THR . 14.1 p -144.78 149.67 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 33.5 m -122.74 131.04 53.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 110.368 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.497 ' N ' HD12 ' A' ' 97' ' ' ILE . 4.6 mp -116.59 79.78 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.486 ' CG ' ' CB ' ' A' ' 104' ' ' ALA . 53.7 m95 -64.5 160.62 18.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 107.979 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.562 ' HB1' HE22 ' A' ' 117' ' ' GLN . . . -108.51 139.6 43.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 99' ' ' ALA . 4.6 t -36.4 -54.64 0.84 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.995 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 118' ' ' ASN . . . -47.98 -46.82 26.31 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.52 1.137 . . . . 0.0 111.068 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 99' ' ' ALA . . . -47.12 -57.84 4.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 93.16 22.9 26.2 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.486 ' CB ' ' CG ' ' A' ' 98' ' ' TRP . . . -58.88 -160.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -125.53 116.36 21.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 110.388 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.454 ' CE1' HD23 ' A' ' 112' ' ' LEU . 11.8 t60 -58.4 111.4 1.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 109.601 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.501 ' CB ' ' HB2' ' A' ' 111' ' ' ASP . 0.3 OUTLIER -142.73 68.8 19.58 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.028 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.538 ' CB ' ' HA ' ' A' ' 109' ' ' PRO . 18.4 Cg_endo -75.0 169.38 22.75 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.538 ' HA ' ' CB ' ' A' ' 108' ' ' PRO . 18.2 Cg_endo -75.0 -10.85 24.25 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 121.011 -2.495 . . . . 0.0 111.006 -0.006 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.731 ' O ' HG23 ' A' ' 95' ' ' VAL . 33.0 p -59.75 -82.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.412 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.501 ' HB2' ' CB ' ' A' ' 107' ' ' SER . 71.3 m-20 -72.03 147.71 46.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.481 ' CD2' ' HB3' ' A' ' 108' ' ' PRO . 45.7 mt -146.23 144.89 30.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.338 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 40.6 t -119.9 116.27 49.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.247 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.743 ' HE1' ' HB3' ' A' ' 116' ' ' ALA . 6.1 t90 -82.02 103.27 11.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 108.019 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.465 ' O ' ' C ' ' A' ' 116' ' ' ALA . 35.2 mttt -82.89 -47.1 12.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.743 ' HB3' ' HE1' ' A' ' 114' ' ' TRP . . . -35.19 -51.49 0.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.658 ' HG3' ' CG ' ' A' ' 114' ' ' TRP . 0.0 OUTLIER -98.63 176.03 5.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.31 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 101' ' ' GLY . 0.3 OUTLIER -116.64 -30.79 5.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.158 . . . . 0.0 109.285 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.482 ' C ' ' NE2' ' A' ' 117' ' ' GLN . 9.3 t -152.98 127.95 9.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 110.411 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.487 ' CE2' ' CG2' ' A' ' 52' ' ' VAL . 40.0 m95 -43.76 -42.79 5.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 107.986 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 133.78 115.33 1.58 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.454 1.097 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 2.7 m -93.78 -179.2 4.92 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 130.75 155.2 8.17 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.532 1.145 . . . . 0.0 110.984 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 90.4 p -61.72 -43.43 98.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.988 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 43.0 t -99.63 117.25 33.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.013 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.515 HD13 ' O ' ' A' ' 47' ' ' GLU . 0.3 OUTLIER -135.13 150.65 50.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.411 1.07 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -154.21 104.22 2.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.264 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 18.6 m -96.07 163.71 13.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.428 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.433 ' HB1' ' OE2' ' A' ' 137' ' ' GLU . . . -159.24 162.75 36.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.528 HD23 HG23 ' A' ' 138' ' ' VAL . 13.5 tp -126.06 133.34 51.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.243 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.649 HD13 ' HA ' ' A' ' 137' ' ' GLU . 32.0 mm -116.5 147.49 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ASN . . . . . 0.496 HD22 HG13 ' A' ' 138' ' ' VAL . 14.5 p30 -97.34 -171.63 2.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.43 ' HA ' ' HB3' ' A' ' 66' ' ' ASN . 0.0 OUTLIER -41.53 -48.12 3.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.98 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 136' ' ' GLU . 15.4 p -89.11 157.93 18.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.38 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -66.5 64.57 0.17 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.524 1.14 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 134' ' ' THR . 10.2 tt0 -143.96 138.02 28.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 0.785 . . . . 0.0 110.313 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.649 ' HA ' HD13 ' A' ' 131' ' ' ILE . 6.8 tt0 -81.69 146.09 30.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.528 HG23 HD23 ' A' ' 130' ' ' LEU . 0.9 OUTLIER -116.25 -37.54 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -141.12 158.35 44.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' MET . . . . . . . . . . . . . 18.1 ptm -139.82 151.85 46.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 111.029 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.46 ' HA ' ' CB ' ' A' ' 34' ' ' ALA . 13.8 ttm-85 -141.5 84.58 1.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.487 ' O ' HD12 ' A' ' 143' ' ' LEU . 62.9 tttt -79.41 152.24 30.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 1.077 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.648 HD22 ' HB3' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -158.03 118.54 3.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.345 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 31' ' ' SER . 2.6 t -127.54 126.89 68.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . 0.572 ' HG3' ' CE1' ' A' ' 30' ' ' PHE . 25.9 ttt180 -79.91 140.04 36.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 2.3 m -105.76 105.87 16.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.013 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -161.08 157.16 28.67 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.13 . . . . 0.0 111.047 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 153.64 42.02 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.534 1.807 . . . . 0.0 110.997 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 83.0 p -164.82 133.21 3.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.998 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -44.09 161.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 110.002 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 O-C-N 124.496 1.123 . . . . 0.0 111.006 179.995 . . . . . . . . 0 0 . 1 stop_ save_